
def load_ccmisc(dbinstance):

    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-005ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-61.3501)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-013ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=64.3043)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-015GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-80.4521)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-159VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2947)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ASN-026VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4454)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ASN-030MET-1', method='CCSDAF12', mode='CP', basis='adz', value=1.4599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ASN-097GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-16.4233)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001HIE-099GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2495)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LEU-071LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4826)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LEU-154LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LEU-190THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3210)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LYS-027ASN-2', method='CCSDAF12', mode='CP', basis='adz', value=22.8161)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LYS-027THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LYS-027THR-2', method='CCSDAF12', mode='CP', basis='adz', value=1.9149)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-005GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=0.2048)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-027VAL-2', method='CCSDAF12', mode='CP', basis='adz', value=3.4567)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-031VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=2.9987)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-047GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.3067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001PRO-046ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.6746)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001SER-030GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.8727)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ALA-101ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5913)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ARG-006GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-90.1772)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ARG-020PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.7161)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ARG-046LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.8940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ASN-022GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-20.8989)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ASN-026ASP-2', method='CCSDAF12', mode='CP', basis='adz', value=-7.9064)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ASP-145HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-6.1213)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-005GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-006GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6655)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-153PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0637)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-163LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3236)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-006GLU-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.6163)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-007ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5123)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-035GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-110.2578)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-075ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-22.6691)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-080ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5762)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-082TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-8.0548)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002MET-031TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4788)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002MET-050ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6815)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002TRP-012VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3409)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002TRP-138SER-2', method='CCSDAF12', mode='CP', basis='adz', value=-5.2249)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002TRP-139LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2125)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-009TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2343)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-042PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6672)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-042PHE-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.2532)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-043HIE-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.7352)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-046SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0296)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ALA-007THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5304)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003GLU-006GLN-2', method='CCSDAF12', mode='CP', basis='adz', value=5.2261)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ILE-062ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=0.1955)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ILE-065SER-1', method='CCSDAF12', mode='CP', basis='adz', value=0.6686)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ILE-067TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0652)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003LEU-033LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3535)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003LEU-054LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003LYS-055LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003PRO-025ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003SER-096ASN-2', method='CCSDAF12', mode='CP', basis='adz', value=0.7020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003THR-181VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7950)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003THR-182GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.0541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TRP-163PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.1925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TRP-167GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0149)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TRP-167GLN-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.7691)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-028VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-028VAL-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.1597)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-030GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.3772)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-054VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-056ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0975)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-073CYS-2', method='CCSDAF12', mode='CP', basis='adz', value=-2.2507)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-074SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3999)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-096HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.7240)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-009TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-012GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.3803)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-036PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8764)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-064TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6630)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-081THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3109)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-083PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3994)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-118ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4397)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-121TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8379)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-024THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-15.0348)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-057ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6672)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-057ILE-2', method='CCSDAF12', mode='CP', basis='adz', value=0.5336)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-095TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-095TYR-2', method='CCSDAF12', mode='CP', basis='adz', value=-5.3900)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ASN-009TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.8525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ASP-043THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-16.1781)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ASP-194ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-102.0814)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004GLN-007ASN-2', method='CCSDAF12', mode='CP', basis='adz', value=-3.1410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004GLN-056GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-6.5673)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004GLU-039THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-15.9290)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-010TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4713)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-031TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8968)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-032HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8071)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-040GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.4283)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-179LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3597)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-180LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=0.1138)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-180LEU-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.6569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-183LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3123)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LYS-030ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.7197)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LYS-031ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6382)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LYS-323PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-116VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7625)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-135LEU-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.4024)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-158LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4570)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-160PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3660)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-007LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7209)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-009TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.9436)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-026TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.7126)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-029PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.5594)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-068VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2739)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-074ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7611)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-094LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8477)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-096TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.6505)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004SER-027VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3707)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004SER-030MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3354)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-078LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2222)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-132LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-12.7767)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-163LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1622)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-164GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-15.3010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TRP-014ARG-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.1386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TRP-016LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.7566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TYR-075PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9252)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TYR-105LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9512)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004VAL-053LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=0.4922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ALA-019PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1864)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ARG-012GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-106.2746)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ARG-071GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-95.3907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ARG-158LEU-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.6662)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ASP-103GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-12.1876)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ASP-128ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-100.3359)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ILE-054SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ILE-234TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ILE-277LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=0.0311)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-010TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7025)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-011PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.7368)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-015LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.7045)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-023GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-025ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2884)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-025LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3942)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-030ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.9092)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-030LEU-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.6571)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-032MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4412)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-037ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3854)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-068ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4412)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-077LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2751)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-083HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-106TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3889)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-191TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-022VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3707)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-031TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9404)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-037PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0933)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-043TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.6491)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-049LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7077)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-050TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.3433)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-155SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3078)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-162GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3638)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-163LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0074)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PRO-196ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8233)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005SER-028VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3803)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005TYR-166TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.2560)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005TYR-168VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3915)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-008GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=0.2886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-023LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-035PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0121)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-037ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-039SER-1', method='CCSDAF12', mode='CP', basis='adz', value=0.1732)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ALA-078GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3947)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ARG-090TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.1362)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ASP-010THR-1', method='CCSDAF12', mode='CP', basis='adz', value=6.4679)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ASP-116VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006GLU-010TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.0565)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-108PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2862)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-126VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-319TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2726)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-323PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-018ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-5.9873)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-039THR-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.2709)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-050VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-053LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6563)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-061PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.8761)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-163LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006THR-097VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3466)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006TRP-026TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8805)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006TRP-038VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6862)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006TRP-040LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5960)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-020VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5433)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-023MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-024ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.4110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-026LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0960)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-038ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=0.0653)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-053LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4665)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-055GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.7364)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-175PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.0852)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ALA-011ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7504)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ALA-021PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6317)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ALA-049VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ARG-011GLU-2', method='CCSDAF12', mode='CP', basis='adz', value=-101.9593)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ARG-062TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7267)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ARG-063PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.2039)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASN-109GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-18.7985)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASP-011GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=7.7269)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASP-119SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-5.3157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASP-131ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-110.2366)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007GLU-033LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.1722)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007GLU-033LYS-2', method='CCSDAF12', mode='CP', basis='adz', value=-99.9456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-015LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-030LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1365)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-030LEU-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.2396)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-038TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3091)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-042LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=0.1624)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-097VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3977)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-017ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4269)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-026VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=0.5435)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-033LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-090TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9691)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-096TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7913)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-168HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1986)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LYS-011ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-112.7590)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LYS-093SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LYS-099THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4070)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-019VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4141)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-021PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.1328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-021PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9285)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-022VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-024VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=0.3798)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-035PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8554)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-084LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5359)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-091ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-111PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6413)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-157ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0824)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-160CYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5100)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007SER-010ARG-2', method='CCSDAF12', mode='CP', basis='adz', value=-8.0589)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007SER-100ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.1703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007THR-031LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=0.0358)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007TYR-053TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.4673)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-022SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.5088)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-026GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2074)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-034ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2873)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-038VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4926)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-040THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-154GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-154GLN-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.6999)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-191TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7718)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-248MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2302)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ALA-034ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ALA-035GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.4432)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ALA-038MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2954)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ARG-115SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-14.5899)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASN-030LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-24.8912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASP-018ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.3918)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASP-018ARG-2', method='CCSDAF12', mode='CP', basis='adz', value=-110.5988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASP-058ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0810)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-012HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4002)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-015TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7347)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-032MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3690)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-033PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7783)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-034LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0127)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-035TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8503)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-041TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-058PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.7158)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-062TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9257)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LEU-017ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LEU-088TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7892)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-043THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-14.1693)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-065VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3312)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-068GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.6874)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-068GLU-2', method='CCSDAF12', mode='CP', basis='adz', value=-105.8359)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008MET-158LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=0.1083)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-042LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-044ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7609)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-097VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.4130)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-099HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.6877)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-101HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.0657)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PRO-183ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-12.8426)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008SER-032SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-5.0063)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008SER-093TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1808)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TRP-035PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.5826)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TRP-250PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.3564)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TRP-252GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-19.4669)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TYR-052TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-039TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6289)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-041VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1722)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-066LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=0.1394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-072SER-1', method='CCSDAF12', mode='CP', basis='adz', value=0.0531)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-080PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5735)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ALA-084LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2728)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ALA-091ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=0.0173)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-023GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-95.3515)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-031TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-10.3236)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-092LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.9799)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-103GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=5.5590)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-106ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-88.9256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-128ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.1443)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-128ARG-2', method='CCSDAF12', mode='CP', basis='adz', value=60.3152)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ASN-024ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=10.0504)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ASP-021LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.2729)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009GLN-068ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7411)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009GLN-072ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.1400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-013TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-038LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1309)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-052PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4419)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-092LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6275)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-092LEU-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.3666)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-105LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4188)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-108PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5488)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-155ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2641)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-013VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4630)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-033LEU-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.3004)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-039ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3607)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-041VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4984)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-041VAL-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.1850)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-055SER-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.5676)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-058ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4798)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LYS-137LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.2178)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LYS-171VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5961)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009PRO-069TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6240)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TRP-111ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-9.9265)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-016GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=5.0574)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-029THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7532)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-033ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.8323)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-035SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-050PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.5972)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-053TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.9093)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-111ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-22.3232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-121TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.8071)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-158ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=0.3786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-301MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9135)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-303TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.6744)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-021PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3862)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-025ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-035ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-084ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1716)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-086TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9302)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ARG-039ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-100.2436)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ARG-042ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-90.0748)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ARG-092LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASN-014GLN-2', method='CCSDAF12', mode='CP', basis='adz', value=-5.5054)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASN-023GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-22.7740)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASN-088TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.3804)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASP-090TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-24.4936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLN-022MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.5052)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLN-102TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=0.8994)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLU-014LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-67.1150)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLU-032SER-1', method='CCSDAF12', mode='CP', basis='adz', value=11.2070)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010HIE-015TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0607)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010HIE-023ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5637)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010LEU-091ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5300)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010LEU-096TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010LEU-132ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6687)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010PHE-028ILE-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.0710)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-022LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.7543)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-025VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9535)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-032ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0830)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-032PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.1182)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-034VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6788)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-052TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8264)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-058PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-081VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.8867)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-081VAL-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.9268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-017GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=4.2320)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-049PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.6766)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-052TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.2406)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-163TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8240)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-027ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4264)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-028LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3808)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-034TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5926)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-040PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2673)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-044ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1056)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ALA-016GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5702)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ASP-091ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-17.7262)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011CYS-042VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3731)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011CYS-042VAL-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.5391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011GLU-062TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=3.7141)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011GLU-100THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-8.2668)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011HIE-015ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=2.6325)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011HIE-304SER-1', method='CCSDAF12', mode='CP', basis='adz', value=2.1004)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011HIE-306ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.9712)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-017LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-018ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3959)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-024ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3958)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-024ILE-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.1754)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-028LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0096)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-037LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=0.1590)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-038TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6680)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-042LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3597)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-045VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-062HIE-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.4797)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-069TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6636)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-071GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7573)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-102TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3302)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-102TYR-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.0629)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011PHE-044TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6782)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011PRO-020ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=0.0150)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011SER-223GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-18.1493)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011THR-017ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2145)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011THR-166GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.9954)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011THR-166GLU-2', method='CCSDAF12', mode='CP', basis='adz', value=-16.2444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-018ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-7.0636)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-023ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-6.8864)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-051GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-10.0773)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-102GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.3280)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-169ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8766)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-144PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7647)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-153LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2102)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-153LYS-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.4432)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-155ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=0.0954)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-055PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-059PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6969)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-108PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6360)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-139ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASN-048PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9036)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASP-024LYS-2', method='CCSDAF12', mode='CP', basis='adz', value=-77.1976)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASP-026TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-6.7741)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASP-069TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=4.4420)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLN-034GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-6.6148)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLN-044TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9439)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLN-048TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1411)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-017GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6527)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-019THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-16.6914)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-068HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=12.9774)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-070TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.7781)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012HIE-015ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0895)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012HIE-033LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4068)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-016THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3981)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-018LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2585)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-028LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=0.0057)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-044ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6078)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-046LYS-2', method='CCSDAF12', mode='CP', basis='adz', value=0.3122)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-046VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-024VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3276)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-027PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8888)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-033LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=0.0753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-035TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9621)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-039ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4143)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-047ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2221)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-057LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2262)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-062HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3431)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-064LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5474)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-065LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2736)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-070MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-074VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=0.1190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-083ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8419)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-085ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5025)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-088TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1939)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-026PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.1914)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-040PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-116PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8672)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-163ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3824)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-166CYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7412)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012SER-138SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.5421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012SER-166PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012TYR-087PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.1422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-016LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0602)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-023LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1123)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-088PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7683)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-114PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7697)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-146PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7121)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ALA-096TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.8789)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ASN-149ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-7.2014)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ASP-016GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=63.3869)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ASP-023ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-117.0791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-039ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-91.0311)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-052ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.4084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-056GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-21.9427)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-065LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.0805)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-069ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-115.0305)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013HIE-032ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1945)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013HIE-095HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.0216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013HIE-121TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-9.8681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ILE-017LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5645)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ILE-105ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2450)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-017ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=0.0769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-063ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3966)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-065PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0352)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-066ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1996)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-069LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5230)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-077LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0324)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-082VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3830)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-084ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3135)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-036VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-060TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.7526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-062LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-063PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1452)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-083ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7108)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-085ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4710)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PRO-032VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=0.2851)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PRO-034GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1116)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PRO-129THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013SER-047TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9418)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013THR-164GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.7212)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013TYR-075LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3924)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013TYR-075LEU-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.1495)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-016PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-066LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-154ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-154ASN-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.8742)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ALA-055LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3406)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ARG-083THR-1', method='CCSDAF12', mode='CP', basis='adz', value=3.2496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASN-027ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7625)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASN-061LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-24.5663)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASN-137TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.5592)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASP-017ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-80.6152)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLN-093VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1122)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLU-036LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-121.0086)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLU-069ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.3663)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLU-164TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-25.8785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014HIE-043TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-025TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4669)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-027ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-081PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7073)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-085ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0960)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-088MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5547)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-061GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1695)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-070TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2350)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-163ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3890)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-174PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6733)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LYS-023GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-124.6656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014SER-017GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-15.2634)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014SER-084GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.8829)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-019GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.7454)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-021PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1793)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-022LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9165)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-022LYS-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.2862)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-082PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.1074)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014VAL-091ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2686)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ARG-020ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-99.4086)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ARG-164ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2208)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-019THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.5736)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-048GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-6.9028)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-069ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.5847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-149PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2735)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015CYS-057LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8598)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015GLU-019LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-105.8447)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-019PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2521)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-023LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2002)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-030LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5789)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-034LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2442)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-035ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-136HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=0.2152)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-035TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6438)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-038LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-080PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2492)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-084TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7470)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-102SER-1', method='CCSDAF12', mode='CP', basis='adz', value=0.6763)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-047TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=0.0414)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-047TYR-2', method='CCSDAF12', mode='CP', basis='adz', value=-12.8218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-220ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-107.3719)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-223GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.9698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015MET-023LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015MET-023LEU-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.6413)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015PHE-039ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5407)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015PHE-044LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0810)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015SER-018THR-1', method='CCSDAF12', mode='CP', basis='adz', value=0.0330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015SER-037LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3168)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-019ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3318)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-021MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5954)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-060HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-8.2466)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-061GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-5.1288)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015TRP-025THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8417)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015TRP-096TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.0138)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015TYR-034ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015VAL-060TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4500)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ARG-047PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.9282)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLN-048ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3188)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLN-098LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0895)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLN-101GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.0095)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLU-035TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.4463)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ILE-021VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8832)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ILE-145LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2351)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ILE-219PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5169)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-036LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0202)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-046ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0727)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-062LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=0.1138)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-065LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1859)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-072PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=0.2887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-082SER-2', method='CCSDAF12', mode='CP', basis='adz', value=0.6866)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-137ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4088)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-141MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5885)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LYS-085GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-105.7532)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-034VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2653)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-036VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2074)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-132ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6207)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-176PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.8758)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-192LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.4078)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016SER-031ASN-2', method='CCSDAF12', mode='CP', basis='adz', value=-4.8016)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016THR-022MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016TYR-079ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0687)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-033THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-055PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5521)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-059PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0731)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-084ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2045)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ARG-056HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-8.1375)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASN-021LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-18.9785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASN-029ASN-2', method='CCSDAF12', mode='CP', basis='adz', value=-6.2326)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASP-049ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-76.9734)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASP-060HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-7.0822)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLN-024ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-7.8795)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLN-093VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=0.6784)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLN-094ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-24.8010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLU-036TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.0739)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLU-072PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.3857)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017HIE-033ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-19.6066)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017HIE-035TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.8798)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-021LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-028LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5099)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-028LEU-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.1434)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-030PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5508)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-055HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.9197)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-149PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.8108)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-050ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1783)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-056PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2687)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-066LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=0.5959)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-083ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017MET-020LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9455)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-022SER-2', method='CCSDAF12', mode='CP', basis='adz', value=-2.4584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-025TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3632)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-077ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-7.0199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-081PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.7809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-084LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017THR-078GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-14.1369)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017THR-307TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1002)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017VAL-049LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4544)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ALA-023VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1168)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ALA-026GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.6527)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ALA-027VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1286)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ARG-057THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1092)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ASN-227ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7255)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ASP-032THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-19.1076)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ASP-034ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.7534)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018CYS-132HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.3660)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018GLU-074ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.7298)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-022GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-052VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-055ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-055PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7389)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018LEU-039ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=2.0646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018LYS-024TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.8132)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-060HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0172)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-085GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1861)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-086VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8606)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-139LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018SER-024LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018SER-040GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-17.3676)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018THR-035ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0752)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018VAL-034ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018VAL-164TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018VAL-166ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5945)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ALA-055HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1819)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ALA-058TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9994)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ARG-027ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=60.9989)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ASN-053VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6748)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019GLN-026GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.5099)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019GLU-022LYS-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.6739)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019GLU-025THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-16.6459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ILE-051VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4477)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-037ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4305)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-041VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5767)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-061ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3499)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-062LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5904)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-062LEU-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.7268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LYS-027VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3718)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LYS-031HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LYS-071GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-116.6493)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019PHE-049LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5056)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019SER-023ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=0.3233)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019SER-023ARG-2', method='CCSDAF12', mode='CP', basis='adz', value=-5.6182)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019SER-026ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-13.7722)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019THR-022MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9315)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019THR-035GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6831)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019THR-035GLU-2', method='CCSDAF12', mode='CP', basis='adz', value=-2.5252)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019TYR-050TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.4083)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-027ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4170)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-058VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=0.1205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-075LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-081LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2864)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-137ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=0.0374)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-138VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=0.1912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-138VAL-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.2361)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ASN-039LYS-2', method='CCSDAF12', mode='CP', basis='adz', value=-25.3822)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ASN-040LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-24.0174)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ASP-082LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-79.5196)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020GLN-036TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.3029)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020GLN-059ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1946)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020HIE-062ASP-2', method='CCSDAF12', mode='CP', basis='adz', value=10.9254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020HIE-068LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.7843)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-023VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-032THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4194)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-082ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2498)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-309ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LEU-024VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LEU-038ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1053)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LEU-042VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=1.4376)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LYS-040GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-121.5725)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PHE-135PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.7224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PHE-149LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8004)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-023ARG-2', method='CCSDAF12', mode='CP', basis='adz', value=1.7445)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-177PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7099)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-178LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5833)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-181ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=0.3503)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020SER-058VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=0.3112)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020SER-091ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3089)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020VAL-029TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6159)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ALA-039TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5373)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ALA-057VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9653)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ALA-100ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6492)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ARG-033THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2455)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ARG-035GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.9553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ARG-035GLU-2', method='CCSDAF12', mode='CP', basis='adz', value=-90.8862)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021GLN-024LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-22.5697)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021GLN-024LYS-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.9832)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021GLN-057TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.4771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021HIE-061PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.5047)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-031HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1575)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-036VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4687)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-038VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-041PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0747)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-077LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=0.1929)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-088ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021LYS-032TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-10.9354)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021LYS-039ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5276)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021MET-058TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.0027)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021MET-062GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5203)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021MET-069ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8580)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-025GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.7483)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-038VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3042)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-054ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5574)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-060PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.4684)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-072PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.2098)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-072THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.4009)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-076VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8057)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-079ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-082PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.0132)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-097LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=0.1690)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-097LEU-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.2703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-113ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=0.4103)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-131VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6426)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-251HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2924)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-260ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7675)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021SER-142ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.5855)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021THR-148GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=0.1202)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021THR-150LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3655)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021TYR-088PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.7424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ARG-072GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-105.5344)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ARG-073GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-87.4859)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-028GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=2.8543)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-046MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.4417)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-055ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=9.5206)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-058GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.4108)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-147TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.6046)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ILE-072HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7531)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ILE-074ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=2.0695)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-057THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6089)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-058PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9038)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-062ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5347)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-065LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-081LYS-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.5457)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LYS-086ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022MET-041VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5242)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-027ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7100)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-031ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0564)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-039TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3784)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-040ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-041PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3426)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-064VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6878)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-069VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9046)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-069VAL-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.1517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-099ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6609)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-166ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8876)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-168TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.0394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022SER-121LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4953)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-026THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2522)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-039TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.5793)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-040TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.9064)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-043ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4683)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-055LEU-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.5460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-059VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022VAL-067LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022VAL-079TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3978)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022VAL-079TYR-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.7021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ASP-027ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-105.4864)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ASP-042ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-120.0452)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ASP-057ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-114.8159)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLN-177PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3989)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLN-217THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-5.7242)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLU-028LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.7928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLU-046LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-109.5599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ILE-060PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2898)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-035PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6318)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-035PHE-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.5844)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-036ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7296)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-055ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-097LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4452)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-029GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-79.9063)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-029GLU-2', method='CCSDAF12', mode='CP', basis='adz', value=-3.8721)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-064TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-7.0613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-064TYR-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.9462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023MET-038ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6179)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023SER-051ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=2.3959)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023THR-085ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0934)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023TYR-026LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3123)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023TYR-031TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.5226)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023VAL-041ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=0.0246)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023VAL-055LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4920)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ALA-034ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1091)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ARG-073ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-16.1717)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ARG-076GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-108.4428)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-027ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-24.6079)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-027LEU-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.8874)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-029ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-034TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.4393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-056PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-058TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.2294)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASP-065HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-26.0725)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024CYS-100ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.1683)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-040HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-24.6406)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-041LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6720)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-050ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.9930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-054ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-104.5291)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ILE-055TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5986)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-028GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3213)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-028GLU-2', method='CCSDAF12', mode='CP', basis='adz', value=-2.1927)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-029GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.7494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-031LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7883)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-032VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3524)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-054VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-260ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8950)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-261ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9046)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LYS-057TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7709)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LYS-069TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3649)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LYS-069TYR-2', method='CCSDAF12', mode='CP', basis='adz', value=-8.6989)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-089LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=0.3908)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-089THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-099TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.5812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-100SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-130LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024SER-038THR-1', method='CCSDAF12', mode='CP', basis='adz', value=4.2089)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024THR-041GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.5062)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-032HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8864)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-049ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3962)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-054PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4257)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-079PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.5735)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-142VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0944)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-143GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ALA-035TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5487)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ALA-037ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3877)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ASN-181ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-7.2502)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ASN-183THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-5.5483)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-029LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8352)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-036THR-1', method='CCSDAF12', mode='CP', basis='adz', value=1.3513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-039TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.3290)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-260ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4367)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-274ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-028VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2913)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-036VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4233)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-056LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1423)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-059ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.6905)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-084ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=0.4964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-084ILE-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.2020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-090ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3154)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-091VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2591)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-055VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2027)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-060PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5574)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-075ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-075ILE-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.3469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025SER-035ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=0.0115)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025SER-075ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=4.5641)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025SER-100ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025THR-045THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.2574)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025THR-100TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9117)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025THR-103LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-16.8510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-038MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4765)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-135ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-144LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-146PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.1167)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-152GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-21.2131)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TYR-080ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.8759)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TYR-081PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.4754)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TYR-084LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0630)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-029TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6159)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-057VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4781)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-069ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4788)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-083GLU-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.2331)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-185ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASN-054ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-6.9522)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASN-055ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASN-058GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-15.5242)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASP-042PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6281)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASP-077PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.9309)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLN-065HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5450)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLN-065HIE-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.5311)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLU-042HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=14.3360)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLU-057TYR-2', method='CCSDAF12', mode='CP', basis='adz', value=-23.6665)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLU-059ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-98.2357)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ILE-037TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8345)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ILE-078ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-037PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3680)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-039ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4246)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-040GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.7258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-041VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7840)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-135ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4118)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-029PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.9838)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-099ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4006)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-103HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.4460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-168TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0275)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-030TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.5489)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-036PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3361)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-118ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7600)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-217THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.3375)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026THR-031LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2443)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026TYR-062ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026TYR-069TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.9755)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026VAL-041GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.8640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026VAL-041GLU-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.8167)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ALA-074LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6032)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ALA-102ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0782)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ARG-049GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-96.1687)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ARG-055THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.9214)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ARG-094ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-96.9913)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ILE-039THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3520)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ILE-046PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ILE-075LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3455)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027LYS-089LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4685)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-030ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1663)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-057VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.5443)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-069SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.6586)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-071VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4307)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-078GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.9970)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PRO-032MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027SER-034ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4606)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027THR-036SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-5.2901)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-070TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.8110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-085ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3371)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-086TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8906)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-088ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=0.3217)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-090THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ALA-038VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=0.0620)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ALA-041VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ARG-031GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-17.2626)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028GLU-072HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-24.0381)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028GLU-097LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-113.8615)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-036LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-091VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1580)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-106VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=1.0734)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-151VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5788)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-037VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4649)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-055LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.9870)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-058ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6210)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-059ARG-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.4465)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-061GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7728)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-133PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4032)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LYS-067TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.9480)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LYS-317ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-20.6354)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028MET-031ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.5322)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028MET-037ARG-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.3998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028MET-040HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.8774)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028PRO-058LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4368)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028PRO-111LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028SER-055THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.3605)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028SER-056GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.3670)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-031THR-1', method='CCSDAF12', mode='CP', basis='adz', value=2.9385)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-036MET-1', method='CCSDAF12', mode='CP', basis='adz', value=2.1654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-038VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2749)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-058PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.7874)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-085GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=0.0080)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-086ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=0.1546)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-105PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4747)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-128PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=0.1602)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-170LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=0.3126)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ALA-274ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4774)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ASN-034LYS-2', method='CCSDAF12', mode='CP', basis='adz', value=-26.9980)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ASN-179SER-1', method='CCSDAF12', mode='CP', basis='adz', value=0.3552)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ASP-070ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=82.9624)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029GLN-033ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=5.6313)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029GLU-045LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.0914)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029GLU-055SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-18.3197)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-034VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3748)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-036PHE-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.5157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-040GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4435)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-045GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7471)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-095TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0573)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LYS-035GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.0164)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-094LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5670)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-101TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9285)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-103HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=0.0172)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-168TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.6460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-177ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7198)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PRO-085GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-9.8864)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029THR-121TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1281)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029THR-121TYR-2', method='CCSDAF12', mode='CP', basis='adz', value=-4.1016)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-302SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6885)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-305ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.0527)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-308ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-8.3510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-315PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.5174)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TYR-049GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.7688)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029VAL-036VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029VAL-054LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0519)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029VAL-087LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=0.1626)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ALA-274ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5829)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ASP-320ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-100.7387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLN-034TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2866)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLN-034TRP-2', method='CCSDAF12', mode='CP', basis='adz', value=-2.2241)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLN-036MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3257)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-033GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-15.4192)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-034ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=67.9782)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-038PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-042PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5932)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-049PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-5.0238)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-061LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-114.7146)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ILE-034LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4192)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ILE-055ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=1.5952)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ILE-093TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8073)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LEU-034LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3507)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-078TYR-2', method='CCSDAF12', mode='CP', basis='adz', value=-6.7571)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-083GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-118.7256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-085GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.2319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-169THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-15.8989)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-042LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5149)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-044ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5304)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-061GLU-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.9377)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-151ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.0087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PRO-057MET-1', method='CCSDAF12', mode='CP', basis='adz', value=0.0201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030SER-109GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-17.2182)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030THR-121LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=1.2791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-033THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-036PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.2514)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-042GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-20.1923)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-046LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.0374)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-073PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6881)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-079LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-103PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.7822)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-171THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5183)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-176SER-2', method='CCSDAF12', mode='CP', basis='adz', value=-5.4088)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-212GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-17.0017)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-213GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.2408)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-216SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9168)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-217THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8337)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030VAL-033VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=0.1760)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030VAL-044LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2728)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030VAL-050ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6441)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ALA-088VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0965)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ASP-034HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=21.4376)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-035LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-037SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-5.4584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-109LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3082)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-125LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-128GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-14.9992)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ILE-034ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3102)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ILE-097TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ILE-246ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=0.0809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-091LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-125LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3419)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-168LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4953)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-213GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.8619)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-060THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4440)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-061ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7980)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-062HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-076ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3574)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-092TRP-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.4742)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-095TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.8259)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PRO-097VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1560)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031THR-085GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-16.8373)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031THR-128PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2239)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-060ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-22.6756)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-164VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.4805)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-168GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.7830)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-168GLN-2', method='CCSDAF12', mode='CP', basis='adz', value=-2.8013)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-171ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8926)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TYR-037PHE-2', method='CCSDAF12', mode='CP', basis='adz', value=-2.1484)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TYR-048HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.4891)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TYR-051GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.1717)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-056PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6602)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-068LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6915)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-071VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4262)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-073VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4279)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-077ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8266)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032ASP-040HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.2933)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLN-116ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-20.9678)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLU-035ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-114.2857)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLU-169THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.9896)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLU-169THR-2', method='CCSDAF12', mode='CP', basis='adz', value=-16.5830)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032ILE-036GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4546)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032ILE-065LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=1.0580)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-080GLU-2', method='CCSDAF12', mode='CP', basis='adz', value=-107.2151)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-083LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5960)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-091LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.3362)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-091LEU-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.2649)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032PHE-058ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.8959)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032PHE-081VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6309)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032PHE-095LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3840)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032SER-057GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-15.6588)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032THR-093LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5577)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032THR-094LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6000)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032THR-128LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-062ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1635)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-073PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.0374)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-074VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6752)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-083ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-7.0802)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-042ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=0.7606)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-052VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8994)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-056HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6080)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-068LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-080ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=0.5565)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-100VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0576)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ARG-189PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.8697)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ARG-191LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4043)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ARG-191LEU-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.8356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ASP-276SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-16.9175)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ASP-279LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-121.6969)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ASP-279LYS-2', method='CCSDAF12', mode='CP', basis='adz', value=-3.4736)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033CYS-047TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.6267)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033GLN-092ASN-2', method='CCSDAF12', mode='CP', basis='adz', value=-7.6072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033GLU-036ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-116.0830)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033HIE-060MET-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.7579)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033HIE-062THR-1', method='CCSDAF12', mode='CP', basis='adz', value=5.2840)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ILE-037ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.7018)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ILE-061VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5235)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-053VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4058)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-059ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6889)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-061PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7806)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-089ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033PHE-058PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7310)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033THR-100GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=0.4307)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-062HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.4058)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-091ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-7.7198)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-094ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-094ILE-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.1015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033VAL-048ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5915)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033VAL-055VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033VAL-091ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3042)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ALA-133LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6692)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ALA-152GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.8035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ARG-060TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-15.2543)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ARG-064LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.5253)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASN-076SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2579)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASN-078TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=0.2232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASP-037PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.4442)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASP-061ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-81.9553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034HIE-057HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4162)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ILE-037TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9716)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LEU-038TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LEU-044TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0679)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-068GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-108.1866)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-070TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-070TRP-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.6878)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-086TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0364)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-086TYR-2', method='CCSDAF12', mode='CP', basis='adz', value=-6.4962)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-045TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.6053)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-058CYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.4415)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-062HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-069MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.5530)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-072LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-100VAL-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.7486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PRO-065ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4722)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PRO-075PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034SER-105LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1757)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TRP-037TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.1548)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-136ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-143MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.3317)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-148VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-277TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=1.0996)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-046LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2980)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-048PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3501)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-072VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2714)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-077LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1074)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-111LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6550)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ALA-065LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6149)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ALA-067ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=0.8320)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ARG-041THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-12.7668)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ARG-042VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5872)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ASN-172GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-9.9630)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ASN-174TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7264)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ASP-046ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-98.1756)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035CYS-038CYS-1', method='CCSDAF12', mode='CP', basis='adz', value=3.7722)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035CYS-154THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.1064)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035GLU-189PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0169)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035HIE-059ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6885)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035HIE-059ARG-2', method='CCSDAF12', mode='CP', basis='adz', value=-5.1191)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035HIE-061ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.7480)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LEU-061PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LEU-085LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3158)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LYS-083TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.9290)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LYS-090GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-5.4538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-047TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.8805)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-062THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.3191)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-097LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0626)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-111PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.5791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-128PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.7053)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035THR-112LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.5577)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-045HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=0.1265)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-058PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.9751)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-064ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5417)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-157VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1266)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-161LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-15.4242)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ARG-042GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-109.1402)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ARG-162GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-18.4816)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036CYS-039CYS-1', method='CCSDAF12', mode='CP', basis='adz', value=0.9927)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLN-040HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.8176)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLN-105LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-039ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-117.9335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-039LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-113.4524)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-045LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8961)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-053VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3747)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-056ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-81.3900)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036HIE-063LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3155)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ILE-040THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3449)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ILE-061ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5031)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ILE-063TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-039MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-041ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1835)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-046PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=0.1111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-046PHE-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.0646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-047TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.4994)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-098ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4527)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036MET-049LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=0.2306)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036MET-054VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=3.6335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036PHE-075SER-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.8551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036PHE-113ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.8765)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036PHE-303TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3647)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036SER-069THR-1', method='CCSDAF12', mode='CP', basis='adz', value=0.0454)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036THR-090GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-18.8491)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036THR-104MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036THR-133PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036TRP-047PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6778)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036TRP-049PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1720)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036VAL-060TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036VAL-070TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.8037)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036VAL-086TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ALA-056ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ARG-152GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-118.3273)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASN-040THR-1', method='CCSDAF12', mode='CP', basis='adz', value=3.4537)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASN-067GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-5.8001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASP-040ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-79.0496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASP-064TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-17.9909)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037HIE-050GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-23.6671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-116PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4855)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-125LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5511)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-162PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4693)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-165VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037LYS-162PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6039)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037PHE-048HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037SER-043ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-5.9730)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037THR-053ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=0.9232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037THR-085LYS-2', method='CCSDAF12', mode='CP', basis='adz', value=1.1405)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-050ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.0059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-053LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8692)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-055LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-14.0337)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-055LYS-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.6143)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-046THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6214)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-050LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.9080)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-066LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6774)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-068VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7488)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ASN-199LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3221)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ASN-202PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.4989)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038CYS-095PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9103)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038GLN-042ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-21.3849)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ILE-085ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4066)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ILE-094LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=0.3820)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-045PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5554)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-047TYR-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.2410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-054LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3862)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-109SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4374)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-109VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=0.0056)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LYS-047PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.5942)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038MET-041LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038MET-146PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.9255)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-042PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.3747)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-042VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.4527)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-046ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.7194)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-049PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9814)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-061VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-061VAL-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.9654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-101PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PRO-108ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.4460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038THR-053PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-063TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.2076)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-065PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.7503)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-068TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.5723)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-073ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1903)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-078ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6154)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-081TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.6234)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-082ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8822)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-132ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7148)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TYR-060TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.9340)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-041VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-072PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2063)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-082PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5266)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-083ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=0.0370)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ALA-095PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.6491)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ARG-043ASN-2', method='CCSDAF12', mode='CP', basis='adz', value=5.3371)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASN-042ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-21.6907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASN-081SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASN-083TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASP-057THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-16.6776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039GLN-047ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-16.0005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039HIE-057HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=9.4566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-054LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-055TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-108ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6098)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-109CYS-1', method='CCSDAF12', mode='CP', basis='adz', value=2.6464)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039LYS-043HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7692)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039PRO-165PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.6579)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039PRO-166ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2137)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039PRO-199LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=0.0514)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039SER-054GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-17.0939)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039SER-067GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-18.3906)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-046THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.8352)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-077LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1361)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-079LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5875)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-083VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1949)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-052SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.2241)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-064VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9086)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-066LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.4386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-066LEU-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.7152)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TYR-043ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=1.4866)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039VAL-083TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.4389)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASN-073PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.5211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASN-077TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.6181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASN-090ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-9.7638)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASP-065THR-1', method='CCSDAF12', mode='CP', basis='adz', value=2.3858)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040GLU-045GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-18.2609)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040HIE-103HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-9.3770)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040HIE-105LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.4808)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ILE-054VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2719)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ILE-057LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3772)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040LEU-063TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7803)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040MET-085ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=1.1308)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040PHE-052TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.8710)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040PHE-116PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.8231)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040PHE-133PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.9201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-044TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0074)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-048VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-162GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4941)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-186TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0995)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-270TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4060)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-052GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.8942)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-055LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4754)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-121ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.8043)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-121ILE-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.1599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-122THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.1767)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-045TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.7516)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-055VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7096)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-076VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9663)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-079ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1546)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-082PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6483)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040VAL-063VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1817)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ALA-047TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.8230)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ALA-081GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8012)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ALA-121ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2037)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ARG-051PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.0535)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ASP-084ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-92.3062)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041GLU-045LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-107.3135)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-058ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=0.5942)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-061PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3392)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-107PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9852)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-107PHE-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.0652)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-146PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3288)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-155PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5606)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-162PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.4359)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-170TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LYS-045GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1028)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LYS-107PHE-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.6973)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LYS-110SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-18.7979)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-047SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1376)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-054HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.4753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-073ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3108)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-077LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6212)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-094LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-5.9000)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-094LYS-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.4594)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-104VAL-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.1720)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041VAL-059LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5139)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041VAL-064LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=0.0290)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ALA-082ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0154)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ASP-045THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-19.0366)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-095PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.6097)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-101PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.9154)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-103PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-6.3038)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-121ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.4075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ILE-049PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5904)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ILE-052PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3957)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ILE-056PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3455)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-047ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3294)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-048ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-048VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5740)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-103HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3341)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-105LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3341)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LYS-049GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-123.0652)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-049PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6885)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-054PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3882)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-056SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-061LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4350)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-064LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-074LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.6331)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-077PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3641)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-085PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3535)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-087LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9395)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-088ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.0536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-089ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-089MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3607)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-092TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.1614)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-101VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7200)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042SER-058ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042SER-062ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=4.2992)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042THR-052ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.1803)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042TRP-049ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-11.2852)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ALA-073PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2590)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ALA-077TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6544)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ASP-054HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-24.7231)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ASP-058ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-118.6843)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ASP-062TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.7121)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043GLU-104ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.9732)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ILE-055LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=0.2926)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-050PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5454)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-055THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3267)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-071PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5731)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-114SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2520)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-161TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.4826)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043MET-048ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0441)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043MET-060VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5214)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043PHE-065PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2237)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043PHE-068TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.5282)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043PHE-073PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7734)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043THR-059LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2402)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-048GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.3015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-049THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8320)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-068LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.7691)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-185HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.4604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-186TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.8182)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043VAL-066LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1070)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043VAL-069VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4144)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ALA-052ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7713)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ASN-048THR-2', method='CCSDAF12', mode='CP', basis='adz', value=-5.1751)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ASN-059THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.7630)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044GLN-061LYS-2', method='CCSDAF12', mode='CP', basis='adz', value=-28.1882)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044GLU-084ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-94.7479)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044HIE-067HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.2498)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044HIE-073TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.9787)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044HIE-086GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-24.6871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ILE-101HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1178)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-079VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2213)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-101ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3896)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-272GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.4446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-272GLN-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.6514)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044MET-061VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5246)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044PHE-048LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044PHE-130VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.3848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044PRO-053ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.4178)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044SER-093ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-13.8778)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044SER-118ARG-2', method='CCSDAF12', mode='CP', basis='adz', value=-10.3115)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044THR-118TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8605)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TRP-048TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.1240)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TRP-085PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.8308)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TRP-147TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-048LYS-2', method='CCSDAF12', mode='CP', basis='adz', value=-15.5345)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-059ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9009)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-077LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0758)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-109LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044VAL-174MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1344)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045ALA-054HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3850)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045ALA-071HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.7541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045ASP-081GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=90.4808)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045GLN-062LYS-2', method='CCSDAF12', mode='CP', basis='adz', value=-23.9965)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045HIE-051GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-23.0191)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045HIE-053ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.6984)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-049GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=0.1902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-049TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=0.4330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-054PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7266)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-055ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.5571)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-070PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7617)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-097LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LYS-048GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.2443)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LYS-084GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-71.8943)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-057GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-7.0992)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-061VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9957)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-066PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.4441)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-075LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-9.6337)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PRO-080VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0684)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PRO-100VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3120)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-048ALA-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.4317)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-066VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2800)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-097SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2298)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-168LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-048ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6576)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-049ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8291)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-100VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5831)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-272GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.0876)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TYR-053THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3872)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-050ASP-2', method='CCSDAF12', mode='CP', basis='adz', value=-95.0184)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-092TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=1.8346)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-182GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-76.5282)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-273GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-113.7933)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ASP-083ASP-2', method='CCSDAF12', mode='CP', basis='adz', value=55.6914)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ILE-071GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3684)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ILE-074LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=11.0330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046LEU-068ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2918)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046LEU-103PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7621)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-050LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.6717)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-084LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.4438)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-088MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3531)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-107PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.2048)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-119GLN-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.6002)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-121LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0031)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-161TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.7491)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PRO-140ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1621)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PRO-141ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5197)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046SER-054PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.5854)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046SER-088ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-5.7859)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046THR-069ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.7718)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046VAL-094PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6183)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ARG-050GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-81.6977)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ARG-059MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7357)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ASN-062LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2322)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ASN-276PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8365)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ILE-064LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2149)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047LEU-055LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047LYS-059ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-114.0443)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047PRO-164TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.4692)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047SER-065PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5873)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TRP-081GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-8.8008)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TRP-083TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.4346)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-052PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6721)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-053ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=2.1826)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-055ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5651)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-058TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.3390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-075ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.4326)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-077HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3923)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-111PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1264)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-136TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=3.1060)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ARG-060MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ASN-052ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.3132)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ASP-081THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-18.9161)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ASP-131LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-115.2016)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048GLN-070SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3493)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-052PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1908)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-091ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-5.4779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-099HIE-2', method='CCSDAF12', mode='CP', basis='adz', value=-2.4575)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-174MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.8426)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-178ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-25.8752)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ILE-052ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6282)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ILE-272GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6397)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ILE-279ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-070PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7813)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-070PHE-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.8594)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-074TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.4259)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-074TYR-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.1985)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-077GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4097)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-141PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7795)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LYS-082ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5642)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LYS-098GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-110.1601)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048PHE-058PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.4451)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048PHE-101LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4185)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048PHE-105TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.4329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048VAL-093THR-1', method='CCSDAF12', mode='CP', basis='adz', value=0.0349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048VAL-095LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4107)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048VAL-099ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4304)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ALA-092TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8920)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ARG-167GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-20.7387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049GLU-080ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-92.3168)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ILE-059ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.1091)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ILE-070PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7302)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ILE-100VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4085)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LEU-054VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2739)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LEU-107PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LYS-121LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6688)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LYS-158ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-6.1431)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-056PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-057GLN-2', method='CCSDAF12', mode='CP', basis='adz', value=-2.5983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-091ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-093VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.0065)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PRO-052TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049THR-053LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4939)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049TYR-054PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049TYR-098GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=4.1367)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049TYR-102ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.2346)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-053THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3115)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-124GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5071)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-127LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9405)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-131VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4709)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ALA-081PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ARG-054THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-11.9373)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASN-083TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0704)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASP-053THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-18.0100)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASP-067PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.9363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASP-092TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-23.5745)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050GLN-055TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-5.1345)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050HIE-065PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.5460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050HIE-087TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-9.6185)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ILE-053ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3414)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ILE-071PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ILE-079VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=0.1246)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050LYS-056GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-111.6092)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PHE-071PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PRO-053TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0042)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PRO-058PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0602)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PRO-096TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=1.0557)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050SER-066PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8787)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050THR-143THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0129)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050TRP-054GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-6.2192)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050VAL-054THR-1', method='CCSDAF12', mode='CP', basis='adz', value=1.9684)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051CYS-154LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-7.5242)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051CYS-156THR-1', method='CCSDAF12', mode='CP', basis='adz', value=2.3169)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLN-089GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-5.0129)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLN-089GLU-2', method='CCSDAF12', mode='CP', basis='adz', value=-24.4596)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLN-098TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.0768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLU-056MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1123)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLU-056MET-2', method='CCSDAF12', mode='CP', basis='adz', value=-2.8595)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051HIE-277ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-23.4504)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051ILE-068LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8276)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-055ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.6456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-080ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.6806)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-096TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3025)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-131LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7402)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-058VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1154)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-091ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-5.1216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-091ARG-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.1945)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-175PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7442)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051THR-152PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8937)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-093VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1624)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-095LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4794)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-097ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-6.2290)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-097ARG-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.8611)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-107PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.4701)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051VAL-071ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4956)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051VAL-104ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3252)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ASN-061ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-6.6510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ASN-143THR-1', method='CCSDAF12', mode='CP', basis='adz', value=1.8398)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052GLN-069ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-9.8548)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052GLN-117PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8051)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ILE-056GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0046)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ILE-087VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=0.5274)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ILE-100VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=0.0465)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-060LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3624)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-062PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2389)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-062PHE-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.0345)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-070PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6230)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-141PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9829)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-152PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4338)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-056MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.4684)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-061CYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-071PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8721)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-073THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9750)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-075ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9749)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-111PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-141MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.9387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-148ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6587)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-157ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0098)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PRO-109LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4056)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052SER-063PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8214)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052TYR-058PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3728)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052TYR-061ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-24.2021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052TYR-116PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3579)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052VAL-057SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0897)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ASN-063SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.2316)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ASN-131VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1427)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ASP-058TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-066LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=0.1477)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-069PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9183)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-075LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=0.0181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-077LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053LEU-057PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7615)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053LEU-091ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053MET-140ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-5.7272)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053SER-089GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-18.9468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-059LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-083ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-24.6416)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-092TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.1262)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-094LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.5576)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-142ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9243)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-169MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.9376)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-057ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.9672)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-068PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2591)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-074ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5854)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-117PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3710)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054ASN-069PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.9624)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054ASN-141ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=2.2166)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054GLU-057ARG-2', method='CCSDAF12', mode='CP', basis='adz', value=-93.5912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054GLU-058ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-117.1716)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054GLU-141GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-12.8582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054ILE-074ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=0.7156)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-061LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6348)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-063PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-069VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2713)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-091LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6729)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-091LEU-2', method='CCSDAF12', mode='CP', basis='adz', value=0.7608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054PHE-101ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4904)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054THR-057ASP-2', method='CCSDAF12', mode='CP', basis='adz', value=1.3540)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054VAL-091ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=0.0004)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054VAL-097ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3534)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASN-058GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.9213)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASN-058TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.4052)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-069ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-117.1654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-104LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-86.1692)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-105TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-9.9370)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-185ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-111.5886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055GLN-272GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=6.4435)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055GLU-121LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8098)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-059ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5806)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-061CYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4272)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-151THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-155ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=1.4592)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055LEU-060VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6016)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055PHE-139ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8531)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055PHE-141GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2145)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055PHE-141GLN-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.2065)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055SER-071PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1832)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055SER-152PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.5792)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055THR-072THR-1', method='CCSDAF12', mode='CP', basis='adz', value=0.5911)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055VAL-059ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4121)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ALA-061VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4132)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ALA-175PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ARG-061LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1977)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056HIE-287LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7439)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056HIE-287LEU-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.9937)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ILE-059PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ILE-059PHE-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.9048)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056LEU-069LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056LYS-160ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-109.2898)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056MET-059MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056MET-181ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056PHE-062PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9746)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056PHE-129PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.5410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056PHE-152PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9683)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056SER-076LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3455)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056TYR-062TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.9056)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056TYR-064VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=0.0025)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056TYR-084ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.4316)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057ARG-067VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0840)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057GLU-061ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-88.4099)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057MET-060MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7344)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-060LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9032)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-066ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9866)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-098VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-116PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9028)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-163ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9709)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PRO-063TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2519)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057TYR-091LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.0288)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057VAL-084ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.2940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057VAL-084ASP-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.9833)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057VAL-181ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7711)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ARG-062LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7259)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ARG-141GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-10.1084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ASP-279LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-108.4659)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058GLN-067PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2746)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058GLN-067PHE-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.7828)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058HIE-067GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2186)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058HIE-115GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.1359)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ILE-097TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.5164)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LEU-071VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LEU-084LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=0.0881)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LEU-094GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LYS-122VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.1158)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-062ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-062TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.7335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-070TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.1222)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-081PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.9172)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-101ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=1.2306)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-131VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4017)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TRP-084SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.1702)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TRP-180SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9029)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-062GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7112)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-062GLN-2', method='CCSDAF12', mode='CP', basis='adz', value=-2.1801)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-062LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-8.1393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-066VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4606)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-068ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4890)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-077ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7441)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058VAL-085ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1000)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ARG-065MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1619)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ARG-067GLN-2', method='CCSDAF12', mode='CP', basis='adz', value=-23.1044)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ASN-062LYS-2', method='CCSDAF12', mode='CP', basis='adz', value=-27.1699)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ILE-068ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5327)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ILE-094LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5113)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LEU-117VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6679)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LEU-117VAL-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.1215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LEU-119GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3434)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LYS-063ASP-2', method='CCSDAF12', mode='CP', basis='adz', value=-115.9608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LYS-075TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-7.0318)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LYS-135ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.8854)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-063ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.3288)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-118THR-1', method='CCSDAF12', mode='CP', basis='adz', value=0.0866)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-120TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.4531)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-127ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059THR-088TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059VAL-084LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7520)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059VAL-136TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2029)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060ALA-081LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5206)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060ASP-165ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=78.6725)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-068PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4417)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-095PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7982)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-095PHE-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.6625)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-098VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3620)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-120VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8095)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-152PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8235)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060MET-070GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=1.2371)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060THR-087LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-17.7963)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060THR-176ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-12.5305)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060TYR-064LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060TYR-128PRO-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.3701)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060VAL-063TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7392)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060VAL-157PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6884)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ALA-080ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=0.0460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ARG-083GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.2532)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ARG-083GLU-2', method='CCSDAF12', mode='CP', basis='adz', value=-91.1714)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ARG-084LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2287)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ASN-065ASN-2', method='CCSDAF12', mode='CP', basis='adz', value=-4.6796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ASP-065LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-6.0402)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-080ARG-2', method='CCSDAF12', mode='CP', basis='adz', value=-77.9576)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-088PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.2506)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-142MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-7.8508)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-145LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.6300)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-064PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-086ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-089MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-091ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=0.0708)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-092TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=0.0247)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-098LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5635)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-155ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.2476)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061LEU-065MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4016)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061LEU-079ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-068VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4082)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-086VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8952)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-086VAL-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.4891)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-099ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.7590)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-117VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PRO-088PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9763)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061THR-081THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1826)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061THR-083GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-15.1223)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061TYR-066LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.7823)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061VAL-064TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9967)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061VAL-066VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=0.5066)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061VAL-068ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ALA-070MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9006)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ASP-080ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-86.2583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-110GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-6.5919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-112PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9282)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-171PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=2.6393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-173TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.0850)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-173TYR-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.1697)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-070GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-7.8155)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-072LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5966)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-073TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=4.6569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-076ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5145)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-067ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1674)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-069TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.7562)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-105TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-107PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6915)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LEU-075ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1846)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LEU-077ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LEU-079LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LYS-067PHE-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.3233)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LYS-147GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.0654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062PHE-120TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.4279)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062PHE-128PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=0.2606)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062THR-099ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-9.1573)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062THR-102HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TRP-073ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TRP-164PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.2616)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TRP-166PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7782)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-077PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.7409)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-083GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-21.8819)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-084ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8046)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-093ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2017)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-095TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.8631)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063ASN-081THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.0795)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063GLN-067ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=12.8759)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063GLN-136TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.8957)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063GLN-165ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-9.5347)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063ILE-077LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2331)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063LEU-068HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063LEU-108LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4727)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063LEU-140LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0737)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-090GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3819)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-090GLN-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.6536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-091ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6367)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-094VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8158)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063THR-092TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7212)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-081TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=2.0064)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-085MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.0010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-098LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0379)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-136PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2158)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063VAL-067LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3877)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063VAL-154THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4234)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064GLU-111TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1487)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-072PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0843)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-084TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.6513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-084TYR-2', method='CCSDAF12', mode='CP', basis='adz', value=-2.5427)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-090TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9164)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064PHE-097PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0555)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064PHE-123THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064PHE-125TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.5514)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064SER-171PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=1.7900)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064THR-116PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5509)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-068LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.9319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-078PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.9462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-082VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-083LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-164PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.0805)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064VAL-073ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0382)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064VAL-143GLN-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.4483)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065ALA-070PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5729)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065ASN-110GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.2358)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065ASP-110GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.8967)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065GLN-088TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9966)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065LEU-077VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4043)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065LEU-080VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8014)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065MET-117PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.6088)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065PHE-095LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4811)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065PRO-101LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065PRO-111TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.1899)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065SER-068TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=0.8988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065SER-108TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3805)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065THR-069ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4227)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065THR-082LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9022)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065TRP-146THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7932)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065TRP-154THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3716)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065TYR-090PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.5159)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ALA-084ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2006)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ALA-136TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8949)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ARG-167GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-117.5497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ASP-069ARG-2', method='CCSDAF12', mode='CP', basis='adz', value=-92.8642)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066GLN-070ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.4351)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066HIE-069GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.9764)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ILE-146VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4839)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066LEU-073PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8220)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066LEU-138THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4275)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066PHE-075LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5852)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066PHE-109SER-1', method='CCSDAF12', mode='CP', basis='adz', value=0.1234)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066PRO-095TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.4464)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066TRP-109TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3302)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066TRP-110PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.4052)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066VAL-085ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=0.3604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067ARG-077ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=0.3579)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067ASP-070ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.0734)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067GLN-115GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-5.7974)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067GLN-117PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.3134)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067GLU-139TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.4268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067HIE-070HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.2898)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067HIE-086GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.9529)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067LEU-078LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4609)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067LEU-107LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3355)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067LEU-109VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4392)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067PRO-095TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.6565)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067PRO-101ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4480)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067SER-073TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067THR-080TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8235)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067THR-082VAL-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.5956)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067VAL-085ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=2.0783)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ARG-072THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-12.1011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068HIE-075LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-10.2038)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068HIE-080GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=1.6415)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068HIE-123ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-25.1333)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ILE-072LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.0724)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ILE-084TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.4907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ILE-091LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=0.1047)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068LEU-081VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068LEU-146PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8548)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068MET-131LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=0.5072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-076LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.5054)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-076LEU-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.8481)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-077ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-077VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6361)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-080LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6166)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-080VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7412)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-083LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5822)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-110LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6412)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068TYR-073ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6855)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068TYR-078ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.7616)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068TYR-082HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1416)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069ARG-075ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.6587)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069ASN-119VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-076ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7293)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-076ILE-2', method='CCSDAF12', mode='CP', basis='adz', value=-6.1147)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-078ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-116.4828)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-123ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=61.7671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069HIE-075ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5188)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069HIE-078PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.4644)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069ILE-101ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=0.6428)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069PHE-078GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-5.3782)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069PHE-080TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.6972)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069PHE-166TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=2.2619)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069THR-080LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3971)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-073TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.0187)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-086GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9121)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-086ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-114VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3447)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070ASN-080GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=7.9757)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070ASP-076THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-14.7022)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070GLU-073LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3238)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070GLU-073LYS-2', method='CCSDAF12', mode='CP', basis='adz', value=-92.1049)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070MET-075ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5449)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070PHE-120TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.0617)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070SER-082VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6544)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070THR-120ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=5.9087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070THR-124THR-2', method='CCSDAF12', mode='CP', basis='adz', value=-4.2466)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070TRP-084VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8145)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070TRP-138LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.9843)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070TRP-174PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.8902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071ASP-074LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.5473)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071LYS-195ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.9380)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-080ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6437)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-080LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6623)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-086ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-108ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8267)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-114SER-1', method='CCSDAF12', mode='CP', basis='adz', value=0.0856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071SER-082HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-5.2598)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-076LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-078GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.2912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-099TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-5.1808)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-100SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-125PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.5652)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-165ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-166TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.7768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-077ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1726)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-083ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3265)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-085ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1839)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-119VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=0.3534)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ARG-116ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-93.1872)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ARG-118TYR-2', method='CCSDAF12', mode='CP', basis='adz', value=-5.6758)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ASN-075ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-18.1833)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072HIE-093TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3875)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072HIE-095PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.4734)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-077PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-082HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.4301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-116PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-116PHE-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.1504)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072THR-175GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7359)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072TYR-076ARG-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.1159)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072TYR-127ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0341)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072VAL-176PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ARG-076LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.8865)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ARG-119ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-102.2996)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ARG-163ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0130)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ASP-135ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-110.2703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ASP-193VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.2339)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073GLU-077ASN-2', method='CCSDAF12', mode='CP', basis='adz', value=0.8296)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073GLU-119SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-18.5106)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ILE-128ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7610)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073LEU-120TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5858)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073PHE-077TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.1018)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073PHE-079LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4651)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073SER-090SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3323)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073SER-178SER-1', method='CCSDAF12', mode='CP', basis='adz', value=0.1387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073TRP-089TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.2082)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073VAL-111ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ALA-083TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5194)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-130TYR-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.7563)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-135SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0078)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-135SER-2', method='CCSDAF12', mode='CP', basis='adz', value=-12.0705)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-136GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.1845)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-147TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2777)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-147TYR-2', method='CCSDAF12', mode='CP', basis='adz', value=-5.2077)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074GLN-094ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-5.4371)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074GLU-096ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-60.5592)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LEU-079TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LEU-102PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9223)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LEU-107PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.8791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LYS-127ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074PHE-080LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.6023)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074PHE-083HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1556)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074SER-091PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2765)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074SER-111GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-19.8518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074VAL-080TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.8721)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074VAL-083ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6237)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074VAL-190LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2381)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075GLU-079GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-12.2907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075GLU-079GLU-2', method='CCSDAF12', mode='CP', basis='adz', value=76.6292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075ILE-080ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4959)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075ILE-112LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075LEU-094ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4280)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075LEU-111LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0824)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075LEU-111LEU-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.1116)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075PHE-093PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075PHE-182ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.8833)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075PHE-184PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8027)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075SER-078TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1916)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075SER-111ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-16.5385)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075TRP-176ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.4314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-079GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-96.2696)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-120TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.0397)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-208TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-208TYR-2', method='CCSDAF12', mode='CP', basis='adz', value=-5.3323)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-084LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6845)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-089TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-24.9444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-091PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0891)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-188GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-20.2497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076GLU-170LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.4893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ILE-094ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9816)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076LEU-086MET-1', method='CCSDAF12', mode='CP', basis='adz', value=0.1071)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076LEU-117ILE-2', method='CCSDAF12', mode='CP', basis='adz', value=0.1960)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076LEU-123THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3447)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076PRO-111TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6076)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076PRO-112LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=0.2785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076SER-082PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076THR-090SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-5.0611)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-125ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.7306)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-125ILE-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.9601)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-136TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.4739)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-139ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.5297)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-143TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.0164)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ALA-096ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5805)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ALA-138ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1480)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ALA-138ARG-2', method='CCSDAF12', mode='CP', basis='adz', value=0.1482)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ASP-080ARG-2', method='CCSDAF12', mode='CP', basis='adz', value=-84.9344)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077HIE-111LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6894)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-102PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6412)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-112ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4509)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-125VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7946)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-128TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7200)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-128TYR-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.1372)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077LEU-093VAL-2', method='CCSDAF12', mode='CP', basis='adz', value=0.1745)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077LYS-178VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.2248)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077LYS-186ASN-2', method='CCSDAF12', mode='CP', basis='adz', value=-19.0408)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-089PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.9539)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-093ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=0.4629)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-097LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-116PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-160VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3980)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-162PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9472)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-201ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-5.8087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-205GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-8.3715)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078ALA-126VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3434)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078ASP-157LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-103.6756)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLN-085LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1802)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLN-088GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-20.0950)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLU-099THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.8992)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLU-127GLN-2', method='CCSDAF12', mode='CP', basis='adz', value=-23.0461)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078HIE-081PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2993)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078LEU-108VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=0.5118)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-082VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7162)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-096ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5158)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-104TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.8345)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-107ALA-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.6871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-108LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-179LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.5765)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-215ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6488)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-218LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5209)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-218LEU-2', method='CCSDAF12', mode='CP', basis='adz', value=0.6216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PRO-115PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0752)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PRO-186ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.1360)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078SER-184PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.1887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078TYR-082PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.2910)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ARG-083ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-97.2972)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ARG-182ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-110.0051)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ASP-131HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-26.8687)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ASP-135ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.6187)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079PHE-089PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9879)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079PHE-100THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1984)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079PHE-104LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079SER-088ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079SER-208TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1200)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079THR-089LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7647)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079THR-089LEU-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.2002)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079THR-110THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.8565)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-084PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.7640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-109VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5062)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-112LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4282)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-112LEU-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.8460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-146PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.9332)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-153TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-167GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=2.1056)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079VAL-087LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0854)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079VAL-094ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1588)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ARG-088PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.8942)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ARG-090ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.0566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ASP-087LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-111.8330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080GLU-092ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.9429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080GLU-155ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-118.4068)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ILE-112LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3621)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080PHE-085LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.5274)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080PHE-098SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0845)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080PHE-166PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5641)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080THR-090ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.8091)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-088LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9141)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-090TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.4577)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-095ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.4403)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-108LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.8514)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-136ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0918)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TYR-129TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.9036)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TYR-172GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=1.9376)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ALA-088ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6025)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASN-084LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3060)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASN-085SER-1', method='CCSDAF12', mode='CP', basis='adz', value=0.0721)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASN-100TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.8191)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASP-092SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-18.0057)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLN-085ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-22.1298)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLU-101ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=6.1808)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLU-103GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2095)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLU-103GLN-2', method='CCSDAF12', mode='CP', basis='adz', value=-13.3676)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081HIE-202PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.3570)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ILE-085ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.2825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081LYS-105VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.0956)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-106CYS-1', method='CCSDAF12', mode='CP', basis='adz', value=14.0722)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-134GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-134GLU-2', method='CCSDAF12', mode='CP', basis='adz', value=-8.1648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-138ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.0749)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081SER-087PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9982)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081TYR-085ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3384)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081TYR-130VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3324)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081VAL-105TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6208)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081VAL-149HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0644)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ARG-088PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.5219)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ARG-088PHE-2', method='CCSDAF12', mode='CP', basis='adz', value=-3.8401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-121LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3697)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-135ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6097)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-136PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2851)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-186VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6874)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082LEU-176PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4947)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082PHE-091ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=1.7001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082PHE-102TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.1349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082PHE-104VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7243)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-108LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-126SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3455)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-127PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3062)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-130VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ASP-089HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-22.8467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ASP-105TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=4.4712)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ASP-136ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-93.3452)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083GLU-094TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-6.9536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083HIE-086GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-24.9758)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083HIE-089ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-24.5194)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ILE-155ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4962)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ILE-173LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-087LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8368)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-088TYR-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.2409)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-101GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6993)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-108VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3634)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083THR-086MET-1', method='CCSDAF12', mode='CP', basis='adz', value=1.2057)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083THR-087GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0619)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083TYR-087PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.2289)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083TYR-094TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083TYR-096ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-087LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6186)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-094PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-094PHE-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.4463)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-103TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0742)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-140TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7409)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-153PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=0.0368)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ARG-089ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-87.1646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASN-099LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASN-103TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-7.7257)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASP-087PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.0654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASP-107ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-13.4822)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASP-126VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.0786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084CYS-090LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-10.5610)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084LEU-090LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4282)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084PRO-122PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8915)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084PRO-135PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0742)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084THR-107PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3748)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084THR-108TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5644)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084TYR-089ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=1.0908)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084TYR-095LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8806)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085ASN-099TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085HIE-094TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.6210)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085HIE-101TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.9881)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085ILE-089ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2331)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085ILE-103LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9420)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-094PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-108LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2614)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-137ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8355)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-138LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LYS-088GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-111.1963)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LYS-094TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.7191)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085MET-136PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085PRO-090LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4341)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085TRP-089ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.0749)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085TRP-135LYS-2', method='CCSDAF12', mode='CP', basis='adz', value=-6.6753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ALA-101GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4788)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ALA-104TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6099)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ALA-136PHE-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.4177)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-091ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-5.7099)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-092TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-5.7935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-112TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-10.7292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-115ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-111.3750)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086HIE-089GLU-2', method='CCSDAF12', mode='CP', basis='adz', value=15.2457)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086PRO-090ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1041)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086SER-136TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.6027)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086VAL-105LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5452)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086VAL-116VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4996)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087ALA-171PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=0.2719)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087ALA-173TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0678)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087ASN-091LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=4.5045)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087CYS-119ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=7.2585)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087CYS-121LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=0.2407)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087GLN-139ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-6.2041)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-095PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9105)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-095PHE-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.9287)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-096TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6511)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-109VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2955)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-153PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=0.0645)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087PHE-126VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3658)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087PHE-186VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9302)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087PHE-188VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7830)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087VAL-102LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=0.2354)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088ASN-092ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088ILE-135LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0542)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088ILE-135PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0705)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088LEU-108ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4132)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088PHE-092LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5715)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ARG-106ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-91.7314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ARG-108TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-11.9947)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ARG-131VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.9478)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ASP-092PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.7415)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ASP-112ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-13.3702)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ASP-131VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.1795)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089CYS-105LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9036)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089GLN-117PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.4316)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089GLN-125TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2351)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ILE-112TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3054)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089LEU-127VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6327)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089THR-098LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3884)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089THR-098LEU-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.2783)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089TYR-094TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1105)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089TYR-153VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3071)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ALA-121PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8672)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ARG-187SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-7.3905)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090GLU-119ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-101.2348)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ILE-099LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ILE-107SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8483)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ILE-190VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1702)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090LYS-122ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-5.3079)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090LYS-122ASP-2', method='CCSDAF12', mode='CP', basis='adz', value=-3.4153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090PRO-129TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2449)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090PRO-154VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2208)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-095ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-7.8022)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-095ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7749)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-099ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-105LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4374)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-112GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=6.9414)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-113ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.8039)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091ASN-096TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-6.5184)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-098SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.1482)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-118THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2923)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-118THR-2', method='CCSDAF12', mode='CP', basis='adz', value=-2.1759)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-121LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.5968)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-122ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=12.0096)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-125HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-127VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091LYS-140SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6150)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091LYS-140SER-2', method='CCSDAF12', mode='CP', basis='adz', value=-16.6942)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091THR-094HIE-2', method='CCSDAF12', mode='CP', basis='adz', value=-5.9213)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091VAL-094ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=0.1724)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092ALA-164GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4765)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092LEU-095HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0798)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PHE-099TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.2580)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PHE-120VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2024)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PHE-131VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7113)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PRO-102HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0754)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PRO-133LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7552)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092TRP-100GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=24.1463)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092VAL-117PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8124)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ALA-099THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5339)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ALA-164ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.9928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ASN-096LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1861)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ASP-097THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-21.0946)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093HIE-118GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.5107)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093HIE-120ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093PRO-184PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0293)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094HIE-099THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9722)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094HIE-104PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.9675)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094ILE-114TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5655)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094LEU-132VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5291)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094LEU-182MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5804)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094LYS-112ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-121.6775)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094PHE-098ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=0.8307)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094PHE-141ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3480)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094PRO-135MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6063)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094TYR-097THR-1', method='CCSDAF12', mode='CP', basis='adz', value=0.0948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094TYR-151VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094TYR-153VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094VAL-125TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5987)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094VAL-152LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=0.1741)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094VAL-166PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8642)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ASN-164ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-22.7650)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ASP-102TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=5.7304)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095GLN-098TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.4866)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095GLN-185THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6897)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095GLN-187ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-5.6568)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ILE-120TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ILE-120TRP-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.6871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ILE-144THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3843)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LEU-103ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2891)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LEU-130VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4597)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LEU-133LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2844)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LYS-107ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6313)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LYS-109THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-14.7367)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LYS-127ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-5.6957)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-099LYS-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.9324)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-118ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5999)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-154ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8864)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-160VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6706)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-160VAL-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.1718)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095SER-114THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7772)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095THR-182ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=1.8863)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095TRP-099LEU-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.1367)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095TRP-104VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5694)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095TYR-106TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.7830)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ASP-100ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-21.0883)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ASP-101GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-22.1353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096GLU-121LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.6924)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-101GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.7517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-103SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.9394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-126LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2305)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-127ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=12.7884)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-132VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9049)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ILE-127VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1537)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ILE-127VAL-2', method='CCSDAF12', mode='CP', basis='adz', value=0.1249)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096TRP-110LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096VAL-105LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=0.4761)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096VAL-108THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5227)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ALA-105LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4128)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ALA-117HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ASN-102TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.4091)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097GLU-101ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-102.4816)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ILE-105THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6132)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097LEU-111PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8244)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097LEU-113ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=1.8542)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097LEU-128PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5780)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PHE-103ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.5082)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PHE-181TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.2235)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PHE-183ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5631)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PRO-106ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2371)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TRP-145LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TRP-173TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.3527)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TRP-213ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6248)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TYR-101TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.7609)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TYR-179LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.7223)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TYR-179LYS-2', method='CCSDAF12', mode='CP', basis='adz', value=-4.0700)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097VAL-112TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098ILE-145ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4291)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-101VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7000)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-115SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8086)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-117ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3333)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-136PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6814)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-144VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2740)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-144VAL-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.3329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-146TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6267)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098PRO-101GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1522)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098PRO-102ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=0.3644)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098PRO-114PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3944)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-112PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.6058)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-127VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=0.4249)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-138TYR-2', method='CCSDAF12', mode='CP', basis='adz', value=3.0361)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-164ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-17.0393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-101GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8911)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-105TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4140)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-152ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4417)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-286TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5567)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-287LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1509)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-102HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.9568)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-147VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.4800)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-149ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9519)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-177ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-103.5894)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-216GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-87.0242)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099GLN-108GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.5773)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099GLN-148HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.8186)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ILE-103ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2063)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099LYS-104THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4802)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099MET-107ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6549)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099MET-126VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=0.6492)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099PRO-104TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099PRO-164PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8063)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099PRO-166GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.6400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099TRP-118PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9326)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099TRP-272GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-23.3467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ALA-112PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1751)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ASN-113LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ILE-103HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5431)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ILE-104LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.6319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100LEU-130VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4677)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100LEU-134ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1514)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100LEU-142LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0917)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100SER-119GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-19.7388)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100SER-131VAL-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.8403)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100SER-148ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=2.5682)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100THR-104LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3662)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100TRP-103LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-10.9588)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100TRP-103LYS-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.9358)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100VAL-283ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ALA-104ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=0.1482)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ALA-128ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4813)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ALA-138TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9942)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ARG-142LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.6480)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ASN-125HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.8939)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ASP-145THR-2', method='CCSDAF12', mode='CP', basis='adz', value=-18.2757)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ILE-110LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3873)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ILE-110PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1316)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ILE-123ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5097)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101LEU-111TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7911)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101LEU-125TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1600)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101LEU-132ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3879)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TRP-132VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6195)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TRP-135LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.9978)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TRP-177ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6176)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TYR-151VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9476)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101VAL-106LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6491)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101VAL-132PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9382)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101VAL-132PHE-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.8390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ALA-114PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=0.2453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ASP-106SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.2900)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-109TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.2268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-127GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3754)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-269HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.3933)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-270TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.6993)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-272GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.9003)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-110ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-145ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4191)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-149TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8659)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-149TYR-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.3782)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-153PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4716)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102SER-165LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-7.8214)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102SER-169ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-17.5140)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102VAL-133PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5296)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ASP-149TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-21.7372)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ASP-269HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-10.5816)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLN-108PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.9617)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLU-106LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-112.6300)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLU-108TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-19.9440)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLU-177ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=82.4822)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103HIE-168TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-10.3482)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ILE-110VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4045)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ILE-130VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4449)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ILE-132PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4832)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103PHE-122MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103PHE-127LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6086)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104ALA-125TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=0.0813)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104MET-112ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6797)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104MET-133PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8740)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-107ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4168)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-129ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.6986)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-147LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-166GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-21.3231)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-168LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2689)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-169PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-202PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.6965)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-205GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6956)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104VAL-108ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4509)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104VAL-112SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3591)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104VAL-126ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ALA-115GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2958)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ASN-139VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8117)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ASN-146GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=1.2871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ASN-154ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=5.8893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ILE-128LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0223)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ILE-131ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2482)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ILE-135LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4549)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105LEU-114TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.5016)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105LEU-168ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7709)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105LEU-175PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1323)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PHE-127LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6605)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PHE-130ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.4156)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PHE-130ARG-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.2893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PRO-128ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=0.4857)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PRO-181TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-6.9630)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105TYR-149HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.0034)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106ASN-130HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=2.0361)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106ASP-133GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=5.7083)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106GLU-129LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-113.0460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106ILE-168ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1423)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106LEU-126LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0933)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106LEU-149PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1027)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106LEU-149PHE-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.3812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106PHE-109PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.8019)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106PHE-178LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.8506)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106SER-128PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=1.2065)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106TYR-112SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6233)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106VAL-112LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4065)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107ASP-125ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-23.7277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107ILE-153TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107ILE-158MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6715)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107THR-125ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4316)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107THR-129LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-17.9005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107VAL-147PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6631)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107VAL-147PHE-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.6395)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108ILE-122VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108ILE-146GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0124)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108LYS-131ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1973)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108LYS-160LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=0.0169)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108PHE-125TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3132)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108PHE-127PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3220)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108PHE-150VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5539)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108TRP-151ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.5052)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108TRP-155VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109ARG-115GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-112.2204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109GLN-161GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9921)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109GLN-161GLU-2', method='CCSDAF12', mode='CP', basis='adz', value=-12.3682)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-113ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.4814)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-181ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6797)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-182VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7717)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-185VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6667)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-228TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.1190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109SER-137ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=2.2772)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109THR-131VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8665)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109THR-158MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3382)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109VAL-164ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1435)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ALA-161PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1916)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ALA-164ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2233)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110GLU-129LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-114.1438)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-116PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-149ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-151VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7093)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-162VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5763)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110LEU-125VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2138)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110LEU-127ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-123ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=0.0112)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-128PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-222TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.3162)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-226LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8009)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-226LEU-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.8558)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110THR-127GLN-2', method='CCSDAF12', mode='CP', basis='adz', value=-5.6107)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110THR-129TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-5.0040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111ASP-156SER-2', method='CCSDAF12', mode='CP', basis='adz', value=9.0751)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111ASP-193HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-10.1840)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111HIE-218LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.7486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-116ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5621)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-130TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9411)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-158LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3080)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-169LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2691)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111TRP-115GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.2006)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111VAL-125ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3578)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ALA-128PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5676)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ALA-131VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5722)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ARG-115ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.4233)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ARG-125PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.5536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ARG-127GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1209)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ASP-183GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=85.4420)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ILE-125VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=0.1458)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ILE-142ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112LEU-142PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8493)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112LYS-127LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6920)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112PHE-121LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1425)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112PHE-125HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9877)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TRP-119ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6891)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TRP-119ARG-2', method='CCSDAF12', mode='CP', basis='adz', value=-2.4503)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TRP-120VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TYR-125GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.6021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TYR-128LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TYR-190ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-7.7088)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-118ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.5859)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-120VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3402)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-122VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0813)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-225TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6674)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ASP-195GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-14.3549)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-131VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3575)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-164HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9257)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-185VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=0.2623)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-190ARG-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.5872)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-232ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6364)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113LYS-117GLU-2', method='CCSDAF12', mode='CP', basis='adz', value=-3.3928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113LYS-170VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3436)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113LYS-173GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-123.3002)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113SER-120ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1500)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-119PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1632)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-124HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.8244)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-126ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6831)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-171ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-21.4493)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-178ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.6796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TYR-124THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8592)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113VAL-120HIE-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.4518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113VAL-143PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5058)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114ALA-160ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3008)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114ASN-122ARG-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.5318)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114ASP-179LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.8767)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114GLU-144ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-7.3925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114GLU-146ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-119.3041)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114LEU-118ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114LYS-225TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.5406)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114VAL-167GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.7303)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115ASN-124LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7371)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115ASP-156ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=84.7753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLN-118ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.9416)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-123PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8127)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-123PRO-2', method='CCSDAF12', mode='CP', basis='adz', value=-3.6810)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-160GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=62.8608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-163TYR-2', method='CCSDAF12', mode='CP', basis='adz', value=-3.9197)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115MET-168TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4693)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115PRO-129TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.7678)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115THR-138VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2884)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115THR-142GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-19.0688)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115THR-142GLU-2', method='CCSDAF12', mode='CP', basis='adz', value=-17.4191)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115VAL-122MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3653)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115VAL-123PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115VAL-130ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.1201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116ALA-162PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5509)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116LYS-144SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-8.6713)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116PHE-130VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0956)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116PHE-165VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117HIE-123PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0516)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117ILE-142PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7178)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PHE-125TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.5279)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PHE-130HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8607)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PRO-126ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5493)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PRO-129TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=1.5891)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PRO-130LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0993)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117VAL-166ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4436)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ALA-160VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0637)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ARG-157ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=9.8185)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ARG-185ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=63.2797)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ASP-136HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-25.5039)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118GLN-121PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6929)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118GLU-173PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.6425)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118GLU-176THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4883)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-136VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2999)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-165ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1519)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-166TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8527)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-178TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7794)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118THR-121LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6853)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118VAL-162PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3297)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119ALA-160LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119CYS-168HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.9078)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119LEU-137ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=0.3468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119LEU-137ALA-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.0799)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119LYS-186VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4947)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119MET-144SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6434)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119PHE-124HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.6218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119PHE-176THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7283)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119SER-123ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.3232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119SER-140TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2347)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119THR-123THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6267)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119THR-123THR-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.1863)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119TYR-174ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7094)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120HIE-185ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3414)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120ILE-123TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1073)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-123ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1540)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-124ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.5647)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-124LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8404)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-135ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5046)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-171TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-171TYR-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.1479)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LYS-138VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LYS-142ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-98.7882)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120PRO-126ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2360)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120SER-136HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120THR-143VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1318)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120THR-147GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-19.1168)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120TYR-141PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8975)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120VAL-123ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5641)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120VAL-154ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4843)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120VAL-275LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2471)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121ASN-132THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7942)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121GLN-144ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-22.0625)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121LEU-125HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3845)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121LEU-125HIE-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.3902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121PHE-126VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8629)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121PHE-191LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121PHE-219TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1431)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121TYR-125LEU-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.6282)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121VAL-157ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122ASP-125LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.2856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122LEU-188VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122MET-126GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-7.5064)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122VAL-125ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9052)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122VAL-143VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3885)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122VAL-152PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1718)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123ALA-128VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2470)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123ALA-158ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=2.3907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123ARG-127GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.9501)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123MET-140ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3719)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123SER-182ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0085)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123THR-136SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.6822)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123TYR-154VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7000)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123VAL-134LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2060)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ALA-156THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2320)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ASP-131THR-1', method='CCSDAF12', mode='CP', basis='adz', value=4.6317)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ASP-132THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-19.5120)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ASP-134ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-111.6879)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124GLN-200ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124HIE-140GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-24.2270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124HIE-143VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124LEU-136HIE-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.0989)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124LEU-181VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125GLU-192PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.8852)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125ILE-136TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4631)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125LEU-129LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125PHE-143VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7994)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TRP-138SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.4030)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TRP-150VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8958)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TRP-152LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.4720)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TYR-164HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.1714)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ALA-140GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5593)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ASN-129ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.4934)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126GLU-130ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-103.6866)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ILE-136PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ILE-139PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ILE-139PHE-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.9559)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126LEU-130HIE-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.7864)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126LEU-162PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6162)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126LYS-158ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2956)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126PHE-132HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1509)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126PHE-171TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.9082)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126PHE-176TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.9937)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126SER-171ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4954)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126THR-197TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8323)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127ALA-177ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.8822)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127GLU-146ARG-2', method='CCSDAF12', mode='CP', basis='adz', value=-96.7599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127GLU-269HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127GLU-269HIE-2', method='CCSDAF12', mode='CP', basis='adz', value=13.5757)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127LEU-210VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2245)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127MET-131LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0859)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-132ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7882)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-133SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6571)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-138SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2649)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-140HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.4958)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-158VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5616)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-183TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.7038)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-206ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8056)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-237ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6610)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-239PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.3818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128ILE-131LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128LYS-183TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.7115)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128PHE-235LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4297)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128PHE-252LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2854)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128PRO-275LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7806)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128TYR-158MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.2953)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128TYR-160LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8288)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128VAL-160LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5719)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129ASN-132TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.9127)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129ASP-140HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-24.4815)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129ASP-148TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.6291)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-155PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5358)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-192PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-195PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=0.2784)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-277TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.4187)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-277TYR-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.7543)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129PHE-133VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6371)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129PHE-156ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-6.6360)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129PHE-166PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.4173)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129TYR-133ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-7.3542)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129TYR-136TYR-2', method='CCSDAF12', mode='CP', basis='adz', value=-2.4622)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129VAL-159PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129VAL-184PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130ARG-170TYR-2', method='CCSDAF12', mode='CP', basis='adz', value=-2.1742)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130ARG-244ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.5458)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130ARG-248GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-76.2203)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130GLN-134GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-16.8812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130GLN-137ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=0.8926)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130PRO-135ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130PRO-139ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3742)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130PRO-180PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6967)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130SER-149HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-7.8737)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130SER-153TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-5.1399)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130VAL-139ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=0.6491)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130VAL-162VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3556)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130VAL-185PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6592)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ALA-140HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4442)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ARG-134GLU-2', method='CCSDAF12', mode='CP', basis='adz', value=-79.3610)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ASP-147PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9108)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ASP-182PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.8711)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131LEU-136VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=0.1912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131LEU-160MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4601)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131PRO-219VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2450)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131PRO-220GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.7926)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131THR-149LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3521)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ARG-136ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.8784)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ASP-156ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-102.0575)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132HIE-135LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132HIE-147ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-25.3656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132HIE-149ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1099)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ILE-135PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ILE-138TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=0.5756)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ILE-146TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5732)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132LEU-198PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5649)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-162VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0748)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-174SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.5114)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-176VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8567)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-183GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.5495)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132TYR-136PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.4233)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133LYS-136ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-102.5314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133LYS-198PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9636)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133PRO-151ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.5826)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133SER-161GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-17.4257)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133TRP-143MET-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.8604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133TRP-148VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=1.2881)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133TRP-277TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=2.1922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133VAL-137ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.2739)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133VAL-146TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.4224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134GLU-138ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-103.4081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134ILE-147ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.4489)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134ILE-167LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1685)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134LEU-205TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1115)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135ARG-193VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.6913)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135ILE-180PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5298)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LEU-139LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LEU-163LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0489)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LEU-179LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1079)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LYS-157GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-105.1549)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LYS-177ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PHE-147TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.0528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PRO-140SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4674)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PRO-144LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5416)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PRO-155PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9217)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135TRP-147GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.9228)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135TRP-208ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136ARG-142ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.8495)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136ASP-198PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-6.4850)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136ASP-201VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.7837)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136CYS-143PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.5217)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136PHE-141ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4834)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136PHE-146TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0730)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136SER-144ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-13.9698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136TRP-155CYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136TRP-165ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-22.2184)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136TRP-179MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0895)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136VAL-169LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4521)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137ARG-154TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.7440)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137ARG-154TRP-2', method='CCSDAF12', mode='CP', basis='adz', value=-6.1500)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137ARG-157GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-100.5017)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137GLU-143MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.0962)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137SER-156ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137TYR-166SER-1', method='CCSDAF12', mode='CP', basis='adz', value=0.1297)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138ARG-142GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-92.2220)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138ILE-156ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.5422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138LEU-149PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138PHE-153PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.0456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138SER-169VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138TRP-146PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.4181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138TRP-243LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=0.3021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138VAL-144ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1684)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139ASN-154SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.7451)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139GLU-144LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-115.7786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139ILE-143TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9932)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139LEU-204TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8908)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139PRO-180PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0478)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139TYR-148SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140GLU-143VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.3992)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140GLU-155THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-16.3429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140GLU-156ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-118.1725)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140LEU-168LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=0.1349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141GLN-160PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5062)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141LYS-144GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-110.8368)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141MET-155ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141PHE-152PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.5703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141SER-144ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-13.3694)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141SER-154ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1385)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142GLN-154GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-5.0420)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142ILE-155LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1661)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142ILE-155LEU-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.4764)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142ILE-185VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142PHE-170ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4741)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-147LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-8.5333)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-148TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.8738)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-150VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=0.0672)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-160PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.7633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-170ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.5258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-199THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6941)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-203VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6170)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143ARG-187ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-115.2873)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143ARG-188LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=63.0016)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143GLN-147GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-22.9509)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143ILE-146VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2285)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143LEU-160ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.7444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143TRP-146LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.7220)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143TYR-150ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3003)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143VAL-147LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4590)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143VAL-152PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5960)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144ARG-147GLU-2', method='CCSDAF12', mode='CP', basis='adz', value=-92.0533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144ASP-150SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-15.0913)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144ILE-155THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4745)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144LYS-161GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-121.8383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144PHE-153LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.6120)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144PHE-155ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3417)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='145GLN-149MET-2', method='CCSDAF12', mode='CP', basis='adz', value=4.4517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='145LEU-149PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6567)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='145THR-149PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1266)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146ARG-207GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-117.8469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146GLU-158SER-1', method='CCSDAF12', mode='CP', basis='adz', value=9.7735)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-149PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.1522)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-150LEU-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.2438)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-150VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0152)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-164TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8154)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-165PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6955)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-199LYS-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.1314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146VAL-161VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3989)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146VAL-161VAL-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.2334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146VAL-165HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1888)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147ASP-171TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-24.5705)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147ASP-188LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-110.8122)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147LYS-203VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3425)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147PHE-159PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.0116)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147PHE-182PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.4452)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147VAL-175SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5154)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148ALA-158LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148HIE-152GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.4566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148ILE-202VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148ILE-204ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.9709)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148PHE-164HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.1838)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148PHE-165TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.6868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148SER-163ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4679)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148TYR-170ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8281)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-167THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8360)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-171TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.5329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-175SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.1128)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-177ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-5.8206)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149LEU-152GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1993)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-159ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-164PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7797)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-165PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3080)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-169VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1984)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PRO-152GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.6583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PRO-152PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4884)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149THR-157PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149TYR-153PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.9106)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150ARG-157ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-112.2306)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150ARG-208ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.8832)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-153PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4458)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-154TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2127)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-159PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-167LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2307)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-170HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7320)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-202LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-203GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.1786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LYS-158LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2554)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='151ILE-159VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=0.3648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='151SER-159PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='151THR-163THR-1', method='CCSDAF12', mode='CP', basis='adz', value=5.9974)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152ASP-156LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.7628)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152ASP-158LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9455)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152CYS-197VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=1.1142)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152LYS-156ASP-2', method='CCSDAF12', mode='CP', basis='adz', value=-114.8743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152LYS-277TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.8773)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153ASP-156ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-66.4778)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153ASP-200ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-105.4574)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153LYS-203GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-115.0595)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153PHE-163LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8344)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153TRP-158MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.2673)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ARG-204ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=62.5614)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ARG-208TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-9.6604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ILE-159GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3620)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ILE-160VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3443)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154LEU-191TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7721)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154LYS-159ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2901)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154TYR-203GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=5.6863)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154TYR-207ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=1.0318)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PHE-197TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2626)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PHE-277TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.2381)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PHE-284LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4448)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PRO-170TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8104)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-171ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-94.4191)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-172THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-14.0674)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-197GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-113.5151)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-200TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.9778)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-200TRP-2', method='CCSDAF12', mode='CP', basis='adz', value=-11.6321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156SER-191TYR-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.2857)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157ASP-202VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.9541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157ASP-204ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-117.3455)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157ILE-160CYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157MET-181ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=0.0180)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157MET-192ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6202)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157PRO-161VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6661)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157VAL-167PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158ALA-193HIE-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.5209)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158ALA-284LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1029)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158ILE-164LYS-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.4817)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158LEU-172THR-1', method='CCSDAF12', mode='CP', basis='adz', value=0.0155)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158VAL-169VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=0.4101)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158VAL-205TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7897)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ALA-197TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2792)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159GLU-170LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.0260)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-172TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0852)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-199LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-200TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-203PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2109)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PHE-206ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4788)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PRO-164VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2137)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PRO-178TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.8161)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PRO-192ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6863)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159VAL-180LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7793)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160LEU-164TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160MET-169LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7192)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160PHE-169VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0778)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160PHE-203VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5055)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161ARG-285ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-85.8145)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161ARG-288ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.6856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161ARG-292GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-118.7632)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161THR-194VAL-2', method='CCSDAF12', mode='CP', basis='adz', value=0.0928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161TYR-201ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.6596)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161TYR-204ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7580)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161VAL-170LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0843)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162ALA-174ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4916)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162ALA-175TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.6595)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-198PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7942)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-201LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1489)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-203VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-208ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=0.3806)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-284LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162PHE-168LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3418)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162PHE-207ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162VAL-167CYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5520)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162VAL-167TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1136)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162VAL-167TYR-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.7719)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ARG-201LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.9317)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ASN-166ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ASN-196ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.8883)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ILE-166CYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2413)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163LEU-171ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3577)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163LEU-175LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=0.1456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-174ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.6195)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-178TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.6234)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-180LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6873)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-180LEU-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.8169)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-183LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-5.9039)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-184VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7676)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-187GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=4.8703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='164VAL-171ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6443)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='164VAL-225LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3649)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165ALA-292GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.9583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165GLN-224MET-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.3385)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165LYS-169ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-111.9707)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165PHE-169VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9477)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-168ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=3.8308)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-171VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1164)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-208ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5892)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-208ILE-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.9188)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165VAL-177ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3443)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='166ILE-187ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2685)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='166PRO-171VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='166PRO-172VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='167GLU-187ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-116.1429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='167PHE-170TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.9818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='167PRO-170VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168HIE-180GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-23.9971)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168ILE-178VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1985)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168LEU-172ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.1492)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168LEU-211ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.5756)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168TYR-203ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8782)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168TYR-224MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0960)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169ASP-172SER-2', method='CCSDAF12', mode='CP', basis='adz', value=-18.1540)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169LEU-181TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0313)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169LYS-172ILE-2', method='CCSDAF12', mode='CP', basis='adz', value=-2.5044)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169LYS-291ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169MET-184VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=0.1988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170ALA-175TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8813)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170HIE-174LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8873)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170LEU-178LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7415)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170LEU-186TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170THR-180GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171ASP-176THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-16.9277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171THR-180SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.8689)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171TYR-180PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=2.9269)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171TYR-231VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6977)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='172ASP-204TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-24.9830)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='172ILE-235VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3840)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='172TYR-193VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5212)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173ARG-234ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-115.6485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173ARG-296LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=59.0368)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173CYS-269HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3974)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173CYS-270TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6074)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173LEU-190VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3766)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173PHE-176THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6122)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173TYR-211PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7439)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173TYR-213ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.5213)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173TYR-245ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9440)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174ASN-178LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-24.5309)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174MET-177ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8810)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174THR-205LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-203VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5992)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-205PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1805)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-270TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=0.1204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-273GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4639)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-273GLU-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.6136)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='175LEU-233ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1043)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='175VAL-268LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7245)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='175VAL-274ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-6.3642)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ALA-195LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4748)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ARG-182GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-113.7636)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ARG-273GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-75.9940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ILE-198PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8085)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ILE-201ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2977)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ILE-205LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0542)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-204TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-208ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4338)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-208ALA-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.3038)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-214PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176THR-180LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='177ASP-216GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=71.1672)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='177GLN-190VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8647)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='178SER-239ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-17.8627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179ALA-225TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3609)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179ALA-238MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179ALA-250ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5799)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179LEU-239PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2937)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179TYR-216GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=4.9519)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179TYR-250PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.9667)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179TYR-258TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.3118)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180ASN-219SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.3463)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180ASN-229TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.8734)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180GLU-187ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-100.7912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180GLU-189ARG-2', method='CCSDAF12', mode='CP', basis='adz', value=-104.3517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180GLU-194ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-114.5049)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-184VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0341)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-209TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-10.3208)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-214PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0557)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-224ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5029)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181ILE-228TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8029)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181THR-195SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.6847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181TRP-185GLN-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2262)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181TRP-189SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181TRP-258TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.0630)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ASP-186ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-10.9170)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ILE-192ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4152)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ILE-239PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7208)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ILE-242LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3103)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182PRO-186LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0628)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182PRO-186LEU-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.7646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182PRO-189ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.3319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-190LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0844)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-194ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-205LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=0.5385)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-209TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=2.5586)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183TYR-186LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-14.0893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184ASP-187ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-87.2471)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-205THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-209LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-225TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.5990)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-228VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6720)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-238MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-255TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184THR-220ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2628)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184VAL-225GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3105)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185PHE-190LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.5216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185TYR-220PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4436)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185VAL-224ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=0.1135)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185VAL-228TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8840)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186CYS-192PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2691)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186GLU-189LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-108.5848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186LYS-191VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3881)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186LYS-191VAL-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.1154)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186TYR-273GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=5.5142)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186VAL-208PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186VAL-223LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2992)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='187LYS-193THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2933)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='187LYS-193THR-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.4396)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='188LYS-225GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-4.6771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189THR-199LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=0.5868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189THR-205PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7492)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189THR-207GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-15.5730)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189TYR-232ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9465)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='190ARG-235LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.7992)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='190LYS-193GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-108.2013)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='190PHE-199LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7772)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='191LEU-219TRP-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.6703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='191TRP-229TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='192GLN-197VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4004)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='192ILE-242LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3106)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='192SER-269ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-9.3217)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='193HIE-248MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4846)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='193HIE-301MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194ASP-269ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-118.3990)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194ILE-205LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4219)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-198PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.9569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-201LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0601)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-217PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2290)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-233ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1805)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-237ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0344)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-241TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.1941)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195ASP-241TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=6.7712)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195LEU-205PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5765)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195LEU-237ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1651)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195LEU-269ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.7453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195PRO-198PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.9942)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-218GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=11.2136)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-221MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4241)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-249ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3118)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-249ILE-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.9080)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='197TYR-201LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2530)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='197TYR-252PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1295)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='197TYR-284LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4713)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198ASN-201LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2850)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-205PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-217PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-284LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6970)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-287LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1193)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='199LYS-207GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-108.0917)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='200TRP-204ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.6294)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='201LEU-284LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4470)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='201SER-209ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.7468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='202TYR-212ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3890)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='202TYR-241TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9576)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='203VAL-291ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5000)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205LEU-212ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205MET-223ASP-2', method='CCSDAF12', mode='CP', basis='adz', value=-5.3061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205MET-224MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1044)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205THR-209LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='206ASP-210TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-26.8166)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='206VAL-231TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8024)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='207PRO-216VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1044)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='208ALA-214PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8104)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='209TYR-214PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7006)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='210GLU-213LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-109.1808)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='210TYR-216ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1665)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='210TYR-286TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3567)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='211ASP-214LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-114.0673)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='211PRO-245ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='212ALA-221GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-2.0380)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='212ILE-243LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.5216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='212PRO-215ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6385)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='214ILE-217PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1196)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='215ALA-282PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2995)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='217PHE-234TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.6870)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='217PHE-247ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='217PHE-249TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.7856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='218ALA-249TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.8264)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='218ALA-258TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0354)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219SER-229TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.7893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-222TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0406)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-222TYR-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.2056)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-272ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-286TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-288LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=0.1602)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='220ALA-256THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5227)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='220ALA-286TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.4609)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-226LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.8080)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-230LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-111.1916)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-231TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=8.0881)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-262SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-17.6560)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-263SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-18.0908)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-265GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=81.8920)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='222ALA-249ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3381)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223ASP-286TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=5.5344)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223ASP-288LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.2125)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223ASP-289SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-18.9927)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223LEU-227ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=1.5813)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='224MET-229PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.8929)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='224MET-229PHE-2', method='CCSDAF12', mode='CP', basis='adz', value=-0.9708)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='225ASN-228ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='225TRP-228VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6643)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='225TRP-252GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.7041)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-233LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.9395)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-247VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7701)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-294TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.8099)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-294TYR-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.0499)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LYS-262SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-17.1953)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='227HIE-255SER-1', method='CCSDAF12', mode='CP', basis='adz', value=0.9413)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='227HIE-256LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='227HIE-289SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.4486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='228ARG-232GLU-2', method='CCSDAF12', mode='CP', basis='adz', value=-91.5320)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='228VAL-254THR-1', method='CCSDAF12', mode='CP', basis='adz', value=0.0380)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='232PRO-290LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234ASN-237ASN-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0049)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-260LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5823)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-262VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.2313)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-286TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3883)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-286TRP-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.8562)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='235VAL-294ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236ILE-258LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1962)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236ILE-260ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5612)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236PHE-262VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.2754)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236PHE-279ILE-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.3433)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236PHE-282GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6863)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237ILE-267ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1043)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237ILE-269ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.9912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237TRP-246PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.3053)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237TRP-249ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0519)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237TRP-263ASP-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7973)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='238MET-247PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='238MET-255TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.6062)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='239ASP-244THR-1', method='CCSDAF12', mode='CP', basis='adz', value=-3.3024)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='239ASP-271PRO-1', method='CCSDAF12', mode='CP', basis='adz', value=-11.7356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='240ASP-270SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-17.5225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='240PRO-268LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3700)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='241ARG-272GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-91.2113)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='243LEU-269HIE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='244SER-294TYR-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.0759)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='245ILE-250ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4674)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='245PRO-248GLU-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.6401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='248MET-298ARG-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4676)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-269MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-276ILE-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1413)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-297PHE-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.0558)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-300LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='250ILE-255TRP-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.4011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='250ILE-255TRP-2', method='CCSDAF12', mode='CP', basis='adz', value=-1.3248)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='251LEU-269MET-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.8576)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='252PRO-258ALA-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.1019)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='253ALA-261THR-1', method='CCSDAF12', mode='CP', basis='adz', value=1.3005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='253ALA-302SER-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='255TRP-261VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-1.1791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='258LEU-261VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3044)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='261VAL-266VAL-1', method='CCSDAF12', mode='CP', basis='adz', value=0.0103)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='264ILE-271LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.3874)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='270SER-283LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.6087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='273PRO-283LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.7713)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='274ILE-279LYS-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.4298)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='275ASN-278LEU-1', method='CCSDAF12', mode='CP', basis='adz', value=-0.5987)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-005ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-61.6950)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-013ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=63.3170)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-015GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-80.7353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-159VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.0532)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ASN-026VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ASN-030MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.8602)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ASN-097GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-16.7434)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001HIE-099GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LEU-071LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7675)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LEU-154LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6193)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LEU-190THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LYS-027ASN-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=20.0600)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LYS-027THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8097)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LYS-027THR-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=1.2602)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-005GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-027VAL-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=2.7365)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-031VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=2.2909)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-047GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-5.1890)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001PRO-046ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.0768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001SER-030GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.1884)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ALA-101ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8230)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ARG-006GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-90.6831)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ARG-020PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.3154)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ARG-046LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.2932)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ASN-022GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-21.1501)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ASN-026ASP-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-8.3288)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ASP-145HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-6.6436)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-005GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.8041)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-006GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1126)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-153PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6738)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-163LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-006GLU-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9755)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-007ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-035GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-110.5023)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-075ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-22.6269)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-080ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9588)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-082TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-8.4827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002MET-031TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9344)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002MET-050ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9947)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002TRP-012VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002TRP-138SER-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-5.7349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002TRP-139LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-009TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6017)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-042PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-042PHE-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6287)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-043HIE-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.2194)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-046SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4408)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ALA-007THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0411)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003GLU-006GLN-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=4.3701)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ILE-062ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.2741)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ILE-065SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.1624)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ILE-067TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5174)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003LEU-033LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003LEU-054LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6914)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003LYS-055LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4556)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003PRO-025ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2165)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003SER-096ASN-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.0034)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003THR-181VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003THR-182GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.5119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TRP-163PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.0335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TRP-167GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6727)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TRP-167GLN-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.4872)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-028VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3484)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-028VAL-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6792)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-030GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.5975)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-054VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2282)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-056ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-073CYS-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.9830)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-074SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7263)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-096HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.0461)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-009TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3675)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-012GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.7278)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-036PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3392)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-064TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0188)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-081THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5062)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-083PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6861)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-118ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7234)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-121TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1265)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-024THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-15.3538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-057ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0655)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-057ILE-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.1455)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-095TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5473)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-095TYR-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-6.0687)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ASN-009TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.7896)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ASP-043THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-16.4332)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ASP-194ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-102.6525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004GLN-007ASN-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.5824)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004GLN-056GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-7.1591)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004GLU-039THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-16.2713)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-010TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9502)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-031TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2815)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-032HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1261)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-040GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.8126)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-179LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7652)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-180LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.2393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-180LEU-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9822)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-183LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5511)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LYS-030ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.3160)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LYS-031ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8700)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LYS-323PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3296)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-116VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-135LEU-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.8965)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-158LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7853)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-160PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7514)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-007LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1236)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-009TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.5554)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-026TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.5925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-029PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.3368)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-068VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6834)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-074ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1085)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-094LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2371)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-096TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.5698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004SER-027VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6594)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004SER-030MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6131)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-078LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6310)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-132LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-12.8600)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-163LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4315)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-164GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-15.7894)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TRP-014ARG-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TRP-016LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.5110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TYR-075PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4511)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TYR-105LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4104)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004VAL-053LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.0980)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ALA-019PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6986)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ARG-012GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-106.8101)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ARG-071GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-95.7381)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ARG-158LEU-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.2423)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ASP-103GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-12.5028)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ASP-128ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-100.7568)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ILE-054SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ILE-234TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9929)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ILE-277LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4617)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-010TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9934)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-011PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.3138)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-015LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.9333)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-023GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8621)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-025ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5131)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-025LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6044)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-030ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.2172)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-030LEU-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-032MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7863)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-037ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-068ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7761)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-077LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5262)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-083HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2287)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-106TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.9170)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-191TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-022VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7197)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-031TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-037PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5844)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-043TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.2285)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-049LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9992)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-050TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.8107)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-155SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8022)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-162GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.1307)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-163LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4916)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PRO-196ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1770)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005SER-028VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6425)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005TYR-166TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.2258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005TYR-168VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7099)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-008GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5966)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-023LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4968)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-035PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-037ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4298)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-039SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.2785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ALA-078GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6854)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ARG-090TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.9224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ASP-010THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=6.0936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ASP-116VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5438)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006GLU-010TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.7568)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-108PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.8049)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-126VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5851)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-319TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5866)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-323PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0650)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-018ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-6.7749)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-039THR-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7194)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-050VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8128)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-053LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9638)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-061PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.2947)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-163LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8537)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006THR-097VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6540)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006TRP-026TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006TRP-038VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0198)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006TRP-040LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0326)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-020VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-023MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-024ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7728)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-026LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5105)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-038ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3208)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-053LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6835)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-055GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.2835)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-175PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.8413)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ALA-011ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ALA-021PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0045)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ALA-049VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3473)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ARG-011GLU-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-102.8058)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ARG-062TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0452)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ARG-063PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.7859)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASN-109GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-19.0270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASP-011GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=7.1352)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASP-119SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-5.7156)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASP-131ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-111.0988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007GLU-033LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.6715)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007GLU-033LYS-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-100.1098)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-015LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9602)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-030LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4289)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-030LEU-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5307)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-038TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7370)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-042LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.1575)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-097VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7150)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-017ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-026VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.1856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-033LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5845)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-090TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3289)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-096TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-168HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7491)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LYS-011ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-113.0759)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LYS-093SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8981)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LYS-099THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7434)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-019VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7395)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-021PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.7956)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-021PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7240)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-022VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3879)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-024VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.2441)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-035PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-084LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7838)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-091ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6559)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-111PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-157ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.8592)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-160CYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9019)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007SER-010ARG-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-8.5421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007SER-100ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.6067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007THR-031LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.2510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007TYR-053TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.0660)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-022SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.0475)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-026GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5246)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-034ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6251)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-038VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7404)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-040THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4758)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-154GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-154GLN-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1790)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-191TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2034)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-248MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7392)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ALA-034ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ALA-035GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.9775)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ALA-038MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6806)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ARG-115SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-14.9061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASN-030LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-25.1680)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASP-018ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.7792)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASP-018ARG-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-111.1987)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASP-058ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4148)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-012HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7892)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-015TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1837)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-032MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6325)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-033PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-034LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.2654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-035TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-041TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0688)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-058PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.3901)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-062TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2721)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LEU-017ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LEU-088TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3851)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-043THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-14.3583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-065VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5950)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-068GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.1217)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-068GLU-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-106.3703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008MET-158LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3396)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-042LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-044ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1101)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-097VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.8375)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-099HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.2935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-101HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.7528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PRO-183ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-13.1157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008SER-032SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-5.3852)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008SER-093TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3362)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TRP-035PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.3178)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TRP-250PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.1219)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TRP-252GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-19.8809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TYR-052TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.8173)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-039TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0049)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-041VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3937)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-066LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.2438)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-072SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-080PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3260)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ALA-084LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5717)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ALA-091ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.2427)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-023GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-95.9277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-031TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-11.8402)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-092LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.4178)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-103GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=5.1465)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-106ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-89.5004)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-128ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.5468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-128ARG-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=59.7587)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ASN-024ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=9.1262)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ASP-021LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.5852)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009GLN-068ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0186)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009GLN-072ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.5207)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-013TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1373)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-038LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4631)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-052PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7445)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-092LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8883)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-092LEU-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6049)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-105LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7736)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-108PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0009)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-155ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5053)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-013VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7336)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-033LEU-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5452)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-039ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6609)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-041VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7343)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-041VAL-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-055SER-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8167)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-058ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8435)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LYS-137LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.4694)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LYS-171VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8682)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009PRO-069TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0705)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TRP-111ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-11.2468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-016GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=4.2481)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-029THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1105)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-033ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.5991)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-035SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3558)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-050PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.3825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-053TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.6396)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-111ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-22.8776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-121TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.8317)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-158ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.0560)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-301MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.8054)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-303TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.5899)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-021PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.9518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-025ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5116)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-035ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-084ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4418)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-086TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4719)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ARG-039ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-100.7550)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ARG-042ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-90.6751)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ARG-092LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0315)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASN-014GLN-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-5.7689)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASN-023GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-23.2445)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASN-088TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.7363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASP-090TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-25.0938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLN-022MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.0305)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLN-102TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.6313)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLU-014LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-68.0800)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLU-032SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=10.0656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010HIE-015TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.2033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010HIE-023ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0088)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010LEU-091ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0770)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010LEU-096TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9029)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010LEU-132ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9162)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010PHE-028ILE-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5833)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-022LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.3064)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-025VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2279)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-032ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5152)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-032PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.8343)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-034VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-052TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3078)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-058PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7883)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-081VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.5351)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-081VAL-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.5571)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-017GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=3.5032)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-049PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.4419)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-052TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.1276)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-163TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4313)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-027ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6751)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-028LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7044)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-034TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-040PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.8195)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-044ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4000)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ALA-016GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9260)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ASP-091ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-18.1378)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011CYS-042VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7284)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011CYS-042VAL-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8278)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011GLU-062TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=3.0148)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011GLU-100THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-8.8199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011HIE-015ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=2.1055)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011HIE-304SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=1.2973)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011HIE-306ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.0238)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-017LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-018ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-024ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-024ILE-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5152)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-028LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.2654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-037LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.1414)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-038TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1013)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-042LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6331)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-045VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-062HIE-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9382)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-069TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9580)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-071GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-102TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-102TYR-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7678)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011PHE-044TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011PRO-020ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4351)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011SER-223GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-18.5952)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011THR-017ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011THR-166GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.4260)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011THR-166GLU-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-16.5802)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-018ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-8.0753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-023ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-7.9918)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-051GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-10.4251)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-102GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.8200)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-169ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3556)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-144PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1470)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-153LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5233)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-153LYS-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7172)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-155ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.2200)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-055PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6615)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-059PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9770)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-108PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9804)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-139ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6280)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASN-048PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5054)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASP-024LYS-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-77.4525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASP-026TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-7.4941)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASP-069TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=3.5537)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLN-034GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-6.8579)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLN-044TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLN-048TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7906)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-017GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9927)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-019THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-17.2408)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-068HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=12.2671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-070TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-5.3157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012HIE-015ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4175)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012HIE-033LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8906)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-016THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7564)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-018LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4910)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-028LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.2663)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-044ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9985)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-046LYS-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.0310)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-046VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4784)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-024VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5802)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-027PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2991)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-033LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.2837)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-035TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3182)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-039ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7916)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-047ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4673)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-057LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5099)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-062HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7934)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-064LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8413)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-065LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7914)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-070MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8219)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-074VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.2050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-083ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1831)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-085ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8477)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-088TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-026PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.8933)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-040PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5002)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-116PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3974)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-163ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7828)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-166CYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1577)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012SER-138SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.8064)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012SER-166PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7103)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012TYR-087PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.2977)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-016LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-023LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3867)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-088PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-114PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0943)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-146PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ALA-096TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.4733)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ASN-149ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-7.4726)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ASP-016GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=62.9608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ASP-023ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-117.8141)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-039ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-91.6492)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-052ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7508)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-056GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-22.2820)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-065LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.4460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-069ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-115.7359)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013HIE-032ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013HIE-095HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.6199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013HIE-121TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-10.7474)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ILE-017LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7942)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ILE-105ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5019)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-017ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3682)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-063ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5630)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-065PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.9573)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-066ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5636)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-069LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7162)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-077LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-082VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6123)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-084ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5894)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-036VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-060TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.2205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-062LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5564)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-063PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7213)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-083ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0327)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-085ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8169)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PRO-032VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.1815)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PRO-034GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PRO-129THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0602)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013SER-047TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4317)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013THR-164GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.0149)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013TYR-075LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.8918)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013TYR-075LEU-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5413)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-016PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7038)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-066LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8376)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-154ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2994)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-154ASN-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ALA-055LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5653)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ARG-083THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=2.4780)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASN-027ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASN-061LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-24.7176)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASN-137TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.5591)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASP-017ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-80.9729)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLN-093VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4942)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLU-036LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-121.7011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLU-069ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.6894)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLU-164TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-26.5939)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014HIE-043TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5326)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-025TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7815)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-027ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-081PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-085ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-088MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9792)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-061GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5415)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-070TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.8340)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-163ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6642)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-174PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9579)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LYS-023GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-125.3617)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014SER-017GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-15.8111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014SER-084GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.7956)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-019GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.4037)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-021PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6379)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-022LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6073)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-022LYS-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.9619)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-082PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.8163)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014VAL-091ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4783)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ARG-020ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-99.9960)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ARG-164ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6408)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-019THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.9839)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-048GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-7.0649)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-069ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.1693)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-149PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6833)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015CYS-057LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1867)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015GLU-019LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-106.8220)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-019PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4849)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-023LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-030LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9415)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-034LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4555)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-035ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7819)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-136HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7557)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-035TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-038LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5304)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-080PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7054)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-084TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3404)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-102SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.2283)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-047TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7056)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-047TYR-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-13.3919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-220ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-107.8582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-223GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.4483)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015MET-023LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9574)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015MET-023LEU-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9366)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015PHE-039ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9043)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015PHE-044LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5395)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015SER-018THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.1882)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015SER-037LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-019ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7004)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-021MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-060HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-8.7705)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-061GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-5.3854)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015TRP-025THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1758)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015TRP-096TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.8937)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015TYR-034ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.9917)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015VAL-060TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0389)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ARG-047PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.3185)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLN-048ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLN-098LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLN-101GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.2551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLU-035TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.9322)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ILE-021VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2520)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ILE-145LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ILE-219PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-036LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.2970)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-046ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3237)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-062LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.2545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-065LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6728)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-072PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5720)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-082SER-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.3204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-137ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7062)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-141MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LYS-085GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-106.1704)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-034VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.8472)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-036VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-132ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-176PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.7527)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-192LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.1752)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016SER-031ASN-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-5.2867)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016THR-022MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2103)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016TYR-079ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6659)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-033THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3625)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-055PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8499)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-059PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4563)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-084ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4557)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ARG-056HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-8.7079)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASN-021LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-19.6264)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASN-029ASN-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-6.6482)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASP-049ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-77.0852)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASP-060HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-7.8695)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLN-024ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-8.0599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLN-093VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.2094)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLN-094ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-25.0663)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLU-036TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.5537)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLU-072PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.8455)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017HIE-033ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-20.0598)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017HIE-035TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-5.9005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-021LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-028LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7276)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-028LEU-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3923)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-030PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9077)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-055HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.0195)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-149PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.5759)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-050ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4565)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-056PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6476)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-066LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.2324)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-083ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7374)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017MET-020LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4502)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-022SER-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.2104)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-025TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6858)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-077ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-7.5208)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-081PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.5075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-084LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4789)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017THR-078GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-14.4900)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017THR-307TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.8333)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017VAL-049LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7096)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ALA-023VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ALA-026GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.9019)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ALA-027VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ARG-057THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5895)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ASN-227ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0917)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ASP-032THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-19.7857)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ASP-034ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.2565)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018CYS-132HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.8807)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018GLU-074ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.0065)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-022GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3324)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-052VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5368)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-055ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4276)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-055PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0994)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018LEU-039ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=1.5271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018LYS-024TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.5425)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-060HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7571)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-085GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5726)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-086VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2166)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-139LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8579)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018SER-024LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3492)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018SER-040GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-17.8657)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018THR-035ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018VAL-034ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7240)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018VAL-164TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6450)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018VAL-166ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ALA-055HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5371)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ALA-058TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3274)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ARG-027ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=59.9446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ASN-053VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0679)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019GLN-026GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.1046)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019GLU-022LYS-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0279)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019GLU-025THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-17.1396)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ILE-051VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7174)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-037ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6156)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-041VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-061ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6728)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-062LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-062LEU-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9892)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LYS-027VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6565)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LYS-031HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6138)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LYS-071GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-117.1589)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019PHE-049LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8115)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019SER-023ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.0700)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019SER-023ARG-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-6.0601)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019SER-026ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-14.3953)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019THR-022MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3647)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019THR-035GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019THR-035GLU-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.8115)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019TYR-050TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.7386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-027ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7621)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-058VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.1434)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-075LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-081LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5374)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-137ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3755)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-138VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.0793)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-138VAL-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5142)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ASN-039LYS-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-25.3857)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ASN-040LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-24.1950)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ASP-082LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-79.9149)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020GLN-036TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.9190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020GLN-059ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.3113)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020HIE-062ASP-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=10.2673)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020HIE-068LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.2954)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-023VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4046)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-032THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6932)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-082ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4992)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-309ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3955)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LEU-024VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9958)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LEU-038ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3423)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LEU-042VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.9904)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LYS-040GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-121.9892)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PHE-135PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.3005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PHE-149LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1259)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-023ARG-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.8711)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-177PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0445)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-178LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8766)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-181ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.2702)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020SER-058VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.1617)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020SER-091ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020VAL-029TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9052)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ALA-039TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8291)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ALA-057VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ALA-100ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2451)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ARG-033THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6833)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ARG-035GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.4782)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ARG-035GLU-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-91.7606)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021GLN-024LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-22.6714)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021GLN-024LYS-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4028)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021GLN-057TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.9714)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021HIE-061PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.2177)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-031HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5846)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-036VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6281)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-038VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1986)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-041PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5066)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-077LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.1133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-088ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8128)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021LYS-032TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-11.4766)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021LYS-039ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7880)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021MET-058TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.8178)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021MET-062GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8365)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021MET-069ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2458)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-025GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.1905)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-038VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6969)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-054ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8806)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-060PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.8921)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-072PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.7688)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-072THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7843)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-076VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2359)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-079ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1741)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-082PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.7626)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-097LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7145)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-097LEU-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7605)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-113ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.1897)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-131VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0221)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-251HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.1185)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-260ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1399)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021SER-142ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.9108)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021THR-148GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.1960)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021THR-150LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9332)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021TYR-088PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.4788)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ARG-072GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-106.0913)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ARG-073GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-88.0764)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-028GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=2.4204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-046MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.9307)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-055ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=8.4887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-058GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.8929)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-147TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-5.5270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ILE-072HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1425)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ILE-074ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=1.5021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-057THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-058PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3389)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-062ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7638)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-065LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-081LYS-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8365)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LYS-086ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8402)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022MET-041VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7144)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-027ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1283)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-031ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5324)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-039TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.9085)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-040ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5866)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-041PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7589)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-064VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-069VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2231)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-069VAL-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6046)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-099ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8987)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-166ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2478)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-168TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.7285)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022SER-121LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-026THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-039TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.1444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-040TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.3932)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-043ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0575)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-055LEU-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.0887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-059VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022VAL-067LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5440)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022VAL-079TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9606)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022VAL-079TYR-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2093)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ASP-027ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-106.0565)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ASP-042ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-120.8739)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ASP-057ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-115.4182)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLN-177PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.9901)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLN-217THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-6.2497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLU-028LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.2638)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLU-046LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-110.5046)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ILE-060PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6530)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-035PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9880)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-035PHE-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9379)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-036ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0506)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-055ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5088)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-097LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5991)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-029GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-80.2810)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-029GLU-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.4319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-064TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-7.6204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-064TYR-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4724)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023MET-038ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9991)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023SER-051ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=1.5820)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023THR-085ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023TYR-026LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8423)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023TYR-031TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.6320)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023VAL-041ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.2443)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023VAL-055LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8208)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ALA-034ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3924)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ARG-073ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-16.2871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ARG-076GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-109.2405)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-027ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-24.8149)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-027LEU-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.3529)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-029ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7947)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-034TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.2198)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-056PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.0580)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-058TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.6519)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASP-065HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-26.5387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024CYS-100ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.6502)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-040HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-25.0525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-041LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0371)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-050ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.5730)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-054ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-105.2475)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ILE-055TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9470)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-028GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6657)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-028GLU-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.4466)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-029GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.0557)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-031LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-032VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5530)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-054VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-260ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2728)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-261ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3101)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LYS-057TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1379)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LYS-069TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.2203)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LYS-069TYR-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-9.4560)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-089LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.2336)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-089THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5180)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-099TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.1086)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-100SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-130LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024SER-038THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=3.8675)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024THR-041GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.9357)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-032HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2384)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-049ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6088)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-054PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0265)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-079PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.2138)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-142VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5135)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-143GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3859)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ALA-035TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8970)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ALA-037ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7896)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ASN-181ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-7.4366)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ASN-183THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-5.7912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-029LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3194)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-036THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=1.0258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-039TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.3070)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-260ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7499)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-274ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-028VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6071)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-036VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6261)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-056LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3761)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-059ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.0596)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-084ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.0666)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-084ILE-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4473)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-090ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5777)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-091VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4911)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-055VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5451)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-060PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8802)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-075ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-075ILE-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5597)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025SER-035ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3741)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025SER-075ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=4.1332)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025SER-100ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3881)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025THR-045THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.5800)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025THR-100TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3668)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025THR-103LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-17.1703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-038MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-135ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1645)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-144LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9909)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-146PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.5407)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-152GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-21.7357)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TYR-080ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.5547)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TYR-081PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.0380)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TYR-084LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-029TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8980)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-057VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6683)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-069ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8531)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-083GLU-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6380)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-185ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7821)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASN-054ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-7.5184)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASN-055ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2470)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASN-058GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-15.6671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASP-042PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3636)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASP-077PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.6379)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLN-065HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLN-065HIE-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0974)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLU-042HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=13.2847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLU-057TYR-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-24.7295)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLU-059ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-99.1939)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ILE-037TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1688)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ILE-078ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4179)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-037PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6958)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-039ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9086)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-040GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.0029)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-041VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1873)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-135ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8692)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-029PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.5598)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-099ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7989)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-103HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.0134)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-168TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4932)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-030TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.9558)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-036PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.8109)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-118ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2417)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-217THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.3578)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026THR-031LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4823)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026TYR-062ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0269)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026TYR-069TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.8413)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026VAL-041GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.4774)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026VAL-041GLU-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.2049)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ALA-074LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8986)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ALA-102ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ARG-049GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-96.7037)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ARG-055THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.3554)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ARG-094ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-97.3425)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ILE-039THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6833)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ILE-046PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7238)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ILE-075LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027LYS-089LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8155)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-030ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5178)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-057VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.0944)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-069SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.0956)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-071VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0154)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-078GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.6142)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PRO-032MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027SER-034ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027THR-036SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-5.5231)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-070TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.5335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-085ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5535)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-086TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4764)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-088ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.0871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-090THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5143)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ALA-038VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.2608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ALA-041VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3580)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ARG-031GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-17.4680)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028GLU-072HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-24.5352)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028GLU-097LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-114.2768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-036LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5519)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-091VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6126)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-106VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.6441)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-151VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9315)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-037VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8236)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-055LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.2997)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-058ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9419)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-059ARG-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8787)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-061GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1223)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-133PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7408)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LYS-067TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.6643)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LYS-317ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-21.0467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028MET-031ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.0517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028MET-037ARG-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8913)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028MET-040HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.5393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028PRO-058LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8567)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028PRO-111LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1339)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028SER-055THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.6906)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028SER-056GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.8134)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-031THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=2.1168)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-036MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=1.3860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-038VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-058PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.4158)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-085GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6170)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-086ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3674)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-105PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7957)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-128PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3726)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-170LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.0354)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ALA-274ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7333)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ASN-034LYS-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-27.0675)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ASN-179SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.1745)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ASP-070ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=81.9006)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029GLN-033ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=5.0533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029GLU-045LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.3954)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029GLU-055SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-18.7028)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-034VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5800)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-036PHE-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.1550)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-040GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-045GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3131)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-095TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5080)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LYS-035GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.7292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-094LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0457)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-101TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5789)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-103HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5344)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-168TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.1649)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-177ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2492)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PRO-085GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-10.7643)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029THR-121TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6402)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029THR-121TYR-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.5216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-302SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0308)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-305ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.7054)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-308ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-8.7820)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-315PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.0346)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TYR-049GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.3783)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029VAL-036VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5780)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029VAL-054LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029VAL-087LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.1097)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ALA-274ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ASP-320ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-101.2799)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLN-034TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.8100)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLN-034TRP-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.5218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLN-036MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.1890)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-033GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-16.0773)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-034ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=67.4062)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-038PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2419)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-042PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-049PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-5.3944)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-061LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-115.2472)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ILE-034LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6591)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ILE-055ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=1.1363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ILE-093TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1780)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LEU-034LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6789)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-078TYR-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-7.1362)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-083GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-119.1322)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-085GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.7291)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-169THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-16.2628)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-042LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8616)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-044ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9614)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-061GLU-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3725)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-151ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.6833)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PRO-057MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3146)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030SER-109GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-17.7392)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030THR-121LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.8394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-033THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-036PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.3281)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-042GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-20.5089)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-046LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.9533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-073PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1634)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-079LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5375)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-103PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.5850)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-171THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8550)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-176SER-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-5.7398)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-212GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-17.7500)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-213GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.9118)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-216SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2443)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-217THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030VAL-033VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.1560)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030VAL-044LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6228)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030VAL-050ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ALA-088VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4219)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ASP-034HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=20.1239)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-035LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0585)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-037SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-5.8358)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-109LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7246)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-125LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0741)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-128GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-15.4177)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ILE-034ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6505)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ILE-097TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2163)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ILE-246ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.2531)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-091LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4756)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-125LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6445)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-168LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7487)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-213GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.7278)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-060THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8840)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-061ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1956)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-062HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3859)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-076ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-092TRP-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.8812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-095TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.4359)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PRO-097VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4761)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031THR-085GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-17.0807)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031THR-128PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7065)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-060ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-23.1998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-164VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.9364)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-168GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.5443)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-168GLN-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.3363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-171ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4094)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TYR-037PHE-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.9836)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TYR-048HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.4537)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TYR-051GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.5417)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-056PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-068LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0626)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-071VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-073VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6576)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-077ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2180)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032ASP-040HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.7663)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLN-116ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-21.1596)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLU-035ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-114.9331)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLU-169THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.4254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLU-169THR-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-16.9700)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032ILE-036GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8634)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032ILE-065LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.6816)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-080GLU-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-107.6438)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-083LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-091LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.7469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-091LEU-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032PHE-058ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.2892)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032PHE-081VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9299)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032PHE-095LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.1107)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032SER-057GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-16.1737)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032THR-093LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7699)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032THR-094LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032THR-128LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-062ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.8687)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-073PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.1544)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-074VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9688)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-083ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-7.5132)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-042ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.3015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-052VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-056HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9128)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-068LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-080ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.1922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-100VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3710)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ARG-189PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.3117)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ARG-191LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ARG-191LEU-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.3352)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ASP-276SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-17.4671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ASP-279LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-122.1549)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ASP-279LYS-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.7542)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033CYS-047TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.3794)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033GLN-092ASN-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-7.8679)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033GLU-036ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-116.7851)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033HIE-060MET-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.4147)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033HIE-062THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=4.5548)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ILE-037ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.9900)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ILE-061VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7062)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-053VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8557)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-059ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9253)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-061PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0454)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-089ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7897)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033PHE-058PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1263)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033THR-100GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.1098)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-062HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.9841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-091ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-8.0720)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-094ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.8685)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-094ILE-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4519)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033VAL-048ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9128)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033VAL-055VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4098)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033VAL-091ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ALA-133LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9729)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ALA-152GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.0995)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ARG-060TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-15.9644)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ARG-064LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.9216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASN-076SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6946)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASN-078TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.2262)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASP-037PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.9270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASP-061ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-82.2380)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034HIE-057HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3315)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ILE-037TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5161)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LEU-038TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3161)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LEU-044TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5377)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-068GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-108.7818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-070TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1154)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-070TRP-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0894)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-086TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7154)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-086TYR-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-6.9260)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-045TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.7435)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-058CYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.9672)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-062HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9336)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-069MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.2754)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-072LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9697)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-100VAL-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.4768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PRO-065ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9047)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PRO-075PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4757)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034SER-105LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6282)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TRP-037TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.0659)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-136ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2736)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-143MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.0799)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-148VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6605)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-277TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.5247)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-046LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5158)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-048PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7834)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-072VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4962)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-077LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-111LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0073)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ALA-065LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9085)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ALA-067ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.0786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ARG-041THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-13.2208)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ARG-042VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ASN-172GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-10.4882)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ASN-174TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ASP-046ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-98.7691)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035CYS-038CYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=2.3351)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035CYS-154THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.5269)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035GLU-189PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4977)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035HIE-059ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1573)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035HIE-059ARG-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-6.1240)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035HIE-061ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.3931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LEU-061PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8821)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LEU-085LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5396)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LYS-083TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.3747)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LYS-090GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-6.0657)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-047TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.4738)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-062THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.9079)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-097LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-111PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.2007)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-128PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.6058)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035THR-112LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.8307)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-045HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.2837)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-058PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.0871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-064ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-157VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5752)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-161LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-16.3521)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ARG-042GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-109.7657)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ARG-162GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-18.7545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036CYS-039CYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.0325)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLN-040HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.1863)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLN-105LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-039ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-118.6799)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-039LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-113.9135)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-045LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2161)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-053VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6705)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-056ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-81.5589)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036HIE-063LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.8890)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ILE-040THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.8903)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ILE-061ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8612)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ILE-063TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8269)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-039MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0130)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-041ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4939)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-046PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-046PHE-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-047TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.1067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-098ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6592)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036MET-049LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.1958)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036MET-054VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=2.9477)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036PHE-075SER-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.2944)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036PHE-113ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-5.2290)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036PHE-303TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7577)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036SER-069THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.2698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036THR-090GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-19.2536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036THR-104MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036THR-133PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6287)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036TRP-047PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1568)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036TRP-049PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.0926)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036VAL-060TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4934)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036VAL-070TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.3239)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036VAL-086TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ALA-056ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ARG-152GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-119.0832)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASN-040THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=2.9987)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASN-067GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-6.1117)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASP-040ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-79.6423)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASP-064TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-18.3783)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037HIE-050GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-24.0897)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-116PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8355)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-125LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-162PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7129)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-165VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037LYS-162PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0989)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037PHE-048HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.8144)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037SER-043ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-6.2857)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037THR-053ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.5100)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037THR-085LYS-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.6518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-050ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.5866)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-053LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-055LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-14.8400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-055LYS-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9445)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-046THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-050LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.8610)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-066LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1512)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-068VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0476)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ASN-199LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5591)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ASN-202PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.1585)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038CYS-095PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3027)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038GLN-042ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-21.5850)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ILE-085ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6699)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ILE-094LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.0071)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-045PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-047TYR-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6046)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-054LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5954)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-109SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7337)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-109VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.2476)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LYS-047PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.3239)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038MET-041LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5438)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038MET-146PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.5266)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-042PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.1914)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-042VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.0931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-046ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.2802)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-049PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5262)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-061VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.8103)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-061VAL-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3026)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-101PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1008)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PRO-108ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.9459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038THR-053PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9417)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-063TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.7231)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-065PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.9046)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-068TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.2620)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-073ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5949)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-078ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9267)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-081TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.8577)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-082ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-132ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2433)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TYR-060TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.8205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-041VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.2935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-072PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.8361)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-082PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8695)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-083ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.2867)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ALA-095PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.3250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ARG-043ASN-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=4.9502)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASN-042ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-21.8494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASN-081SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7901)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASN-083TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0385)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASP-057THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-17.1981)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039GLN-047ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-16.2011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039HIE-057HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=8.7670)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-054LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1052)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-055TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1595)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-108ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-109CYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=2.0278)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039LYS-043HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1192)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039PRO-165PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.3492)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039PRO-166ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6745)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039PRO-199LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3547)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039SER-054GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-17.6532)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039SER-067GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-19.0090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-046THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-5.1775)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-077LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3695)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-079LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9073)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-083VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4042)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-052SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.0283)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-064VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2116)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-066LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.9957)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-066LEU-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.2324)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TYR-043ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.7730)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039VAL-083TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.1056)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASN-073PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.9146)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASN-077TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.4537)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASN-090ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-10.5357)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASP-065THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=2.1050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040GLU-045GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-18.7873)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040HIE-103HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-9.9665)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040HIE-105LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.0292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ILE-054VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4876)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ILE-057LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040LEU-063TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1120)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040MET-085ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.4539)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040PHE-052TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.4094)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040PHE-116PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.2344)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040PHE-133PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.7927)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-044TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4273)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-048VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8663)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-162GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7291)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-186TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-270TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-052GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.3568)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-055LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7344)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-121ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.3854)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-121ILE-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6414)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-122THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.4096)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-045TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.6690)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-055VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1046)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-076VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2784)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-079ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6491)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-082PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1957)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040VAL-063VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4379)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ALA-047TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.4843)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ALA-081GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0543)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ALA-121ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4295)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ARG-051PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.6329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ASP-084ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-92.7429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041GLU-045LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-107.9194)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-058ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.0091)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-061PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7764)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-107PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5366)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-107PHE-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4241)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-146PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7112)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-155PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9527)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-162PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.0513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-170TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LYS-045GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5688)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LYS-107PHE-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.4793)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LYS-110SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-19.0713)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-047SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6824)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-054HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.6309)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-073ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7346)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-077LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9478)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-094LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-6.7092)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-094LYS-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.3691)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-104VAL-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.9079)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041VAL-059LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8195)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041VAL-064LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.2913)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ALA-082ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.2591)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ASP-045THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-19.4603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-095PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-5.2189)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-101PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.4101)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-103PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-6.7216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-121ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.9039)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ILE-049PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ILE-052PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6425)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ILE-056PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.9483)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-047ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5348)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-048ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1207)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-048VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9674)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-103HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-105LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LYS-049GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-123.5701)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-049PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4313)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-054PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.1147)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-056SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-061LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7037)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-064LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3052)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-074LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.2546)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-077PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7104)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-085PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6897)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-087LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2766)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-088ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.6550)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-089ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2454)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-089MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.9490)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-092TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.7282)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-101VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0285)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042SER-058ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3039)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042SER-062ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=3.7476)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042THR-052ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.5336)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042TRP-049ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-12.5484)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ALA-073PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5693)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ALA-077TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4144)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ASP-054HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-25.1964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ASP-058ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-119.3967)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ASP-062TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.1267)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043GLU-104ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.2716)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ILE-055LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.0578)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-050PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8718)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-055THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5968)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-071PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8710)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-114SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5953)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-161TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.1934)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043MET-048ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043MET-060VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7425)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043PHE-065PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7343)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043PHE-068TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.0619)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043PHE-073PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043THR-059LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5530)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-048GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.6853)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-049THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-068LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.3199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-185HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.8591)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-186TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.5058)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043VAL-066LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3499)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043VAL-069VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7588)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ALA-052ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1159)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ASN-048THR-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-5.5775)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ASN-059THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.2385)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044GLN-061LYS-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-28.1875)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044GLU-084ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-95.0694)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044HIE-067HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.8799)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044HIE-073TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.7112)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044HIE-086GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-25.3187)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ILE-101HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5420)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-079VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4724)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-101ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5697)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-272GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.1663)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-272GLN-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0345)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044MET-061VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7296)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044PHE-048LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2729)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044PHE-130VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.1213)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044PRO-053ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.7632)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044SER-093ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-14.2797)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044SER-118ARG-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-10.7864)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044THR-118TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3209)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TRP-048TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.6577)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TRP-085PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.1699)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TRP-147TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5006)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-048LYS-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-15.9878)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-059ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2726)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-077LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-109LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5006)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044VAL-174MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5507)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045ALA-054HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7959)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045ALA-071HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.3004)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045ASP-081GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=89.2571)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045GLN-062LYS-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-24.3643)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045HIE-051GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-23.4626)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045HIE-053ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.1973)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-049GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.1794)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-049TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.0247)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-054PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1549)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-055ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.8652)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-070PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1742)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-097LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9304)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LYS-048GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.6455)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LYS-084GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-72.3310)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-057GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-7.6608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-061VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5956)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-066PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.9137)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-075LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-10.0730)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PRO-080VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PRO-100VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7000)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-048ALA-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-066VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5365)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-097SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4777)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-168LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2121)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-048ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9653)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-049ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1540)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-100VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-272GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.7529)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TYR-053THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.1539)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-050ASP-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-95.6047)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-092TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.7680)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-182GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-77.0093)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-273GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-114.4474)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ASP-083ASP-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=55.3869)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ILE-071GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ILE-074LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=9.8629)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046LEU-068ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046LEU-103PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0950)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-050LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.9722)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-084LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.9330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-088MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.8895)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-107PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.8172)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-119GLN-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0567)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-121LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.8424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-161TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.3282)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PRO-140ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PRO-141ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9402)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046SER-054PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.4185)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046SER-088ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-6.0463)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046THR-069ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.1068)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046VAL-094PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9554)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ARG-050GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-82.0984)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ARG-059MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ASN-062LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7909)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ASN-276PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2083)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ILE-064LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4657)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047LEU-055LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4052)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047LYS-059ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-114.3516)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047PRO-164TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.9843)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047SER-065PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1706)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TRP-081GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-9.3430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TRP-083TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.0664)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-052PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2182)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-053ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=1.4864)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-055ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1926)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-058TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.2199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-075ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.0038)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-077HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8968)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-111PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-136TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=2.6703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ARG-060MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7214)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ASN-052ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.7841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ASP-081THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-19.4476)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ASP-131LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-115.5465)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048GLN-070SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9416)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-052PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4986)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-091ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-6.2929)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-099HIE-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.0121)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-174MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.8736)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-178ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-26.3750)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ILE-052ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0994)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ILE-272GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0489)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ILE-279ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0704)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-070PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1107)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-070PHE-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-074TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.8642)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-074TYR-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6377)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-077GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7574)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-141PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LYS-082ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9202)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LYS-098GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-110.5250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048PHE-058PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.9049)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048PHE-101LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7585)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048PHE-105TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.8046)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048VAL-093THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.2942)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048VAL-095LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6641)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048VAL-099ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8280)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ALA-092TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3332)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ARG-167GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-20.8692)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049GLU-080ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-92.6613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ILE-059ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.4164)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ILE-070PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0595)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ILE-100VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LEU-054VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5213)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LEU-107PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7556)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LYS-121LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9300)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LYS-158ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-6.6494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-056PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6995)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-057GLN-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.3481)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-091ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-093VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.9221)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PRO-052TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0772)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049THR-053LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7170)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049TYR-054PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4071)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049TYR-098GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=3.5385)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049TYR-102ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.4522)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-053THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-124GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7667)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-127LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3357)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-131VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ALA-081PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ARG-054THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-12.1490)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASN-083TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3803)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASP-053THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-18.7637)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASP-067PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.7345)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASP-092TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-23.9818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050GLN-055TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-5.7900)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050HIE-065PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.3300)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050HIE-087TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-10.6473)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ILE-053ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7128)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ILE-071PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9427)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ILE-079VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.1998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050LYS-056GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-112.0977)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PHE-071PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5591)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PRO-053TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6661)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PRO-058PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.9280)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PRO-096TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.1077)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050SER-066PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2163)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050THR-143THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3385)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050TRP-054GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-6.6528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050VAL-054THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=1.5279)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051CYS-154LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-7.9666)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051CYS-156THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=1.6914)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLN-089GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-5.4596)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLN-089GLU-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-24.6721)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLN-098TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.4868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLU-056MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLU-056MET-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.3738)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051HIE-277ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-23.8648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051ILE-068LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1590)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-055ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.9736)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-080ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.9970)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-096TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.9548)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-131LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-058VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4798)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-091ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-5.6839)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-091ARG-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.0003)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-175PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3327)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051THR-152PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2896)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-093VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5984)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-095LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-097ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-7.4359)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-097ARG-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.4352)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-107PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.3128)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051VAL-071ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7708)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051VAL-104ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5757)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ASN-061ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-6.9506)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ASN-143THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=1.6313)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052GLN-069ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-10.0925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052GLN-117PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1670)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ILE-056GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2934)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ILE-087VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.0003)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ILE-100VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3103)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-060LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5623)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-062PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-062PHE-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-070PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9404)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-141PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4624)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-152PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8144)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-056MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.0405)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-061CYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3621)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-071PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3711)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-073THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4098)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-075ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4412)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-111PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-141MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.4839)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-148ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1060)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-157ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3810)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PRO-109LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7504)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052SER-063PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052TYR-058PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7918)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052TYR-061ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-24.6003)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052TYR-116PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.9559)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052VAL-057SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3666)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ASN-063SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.3868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ASN-131VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4748)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ASP-058TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9839)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-066LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.2202)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-069PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3060)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-075LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.2671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-077LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7915)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053LEU-057PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1102)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053LEU-091ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8228)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053MET-140ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-6.0463)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053SER-089GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-19.5824)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-059LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5996)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-083ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-25.2250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-092TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.5827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-094LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.1018)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-142ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4529)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-169MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.7733)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-057ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.3635)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-068PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-074ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8347)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-117PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6398)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054ASN-069PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.6887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054ASN-141ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=1.8250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054GLU-057ARG-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-94.1530)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054GLU-058ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-117.9323)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054GLU-141GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-13.2607)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054ILE-074ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.1273)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-061LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9914)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-063PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5571)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-069VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4854)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-091LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-091LEU-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.2140)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054PHE-101ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8178)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054THR-057ASP-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=1.0485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054VAL-091ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.2741)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054VAL-097ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5567)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASN-058GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-5.3360)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASN-058TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.8567)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-069ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-118.0005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-104LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-86.7141)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-105TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-10.5094)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-185ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-112.2330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055GLN-272GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=5.7918)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055GLU-121LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1615)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-059ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-061CYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9282)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-151THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-155ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.9743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055LEU-060VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8504)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055PHE-139ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1906)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055PHE-141GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7561)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055PHE-141GLN-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.9352)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055SER-071PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7165)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055SER-152PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.9702)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055THR-072THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.2364)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055VAL-059ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6572)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ALA-061VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5867)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ALA-175PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9239)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ARG-061LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4873)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056HIE-287LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1227)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056HIE-287LEU-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4305)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ILE-059PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4619)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ILE-059PHE-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4192)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056LEU-069LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5544)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056LYS-160ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-109.8830)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056MET-059MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056MET-181ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0266)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056PHE-062PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5182)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056PHE-129PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.0129)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056PHE-152PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3403)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056SER-076LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6066)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056TYR-062TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.9416)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056TYR-064VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.2869)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056TYR-084ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.1041)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057ARG-067VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5933)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057GLU-061ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-88.7867)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057MET-060MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3085)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-060LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3815)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-066ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3900)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-098VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.8078)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-116PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2798)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-163ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3567)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PRO-063TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7093)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057TYR-091LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.8768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057VAL-084ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.6026)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057VAL-084ASP-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.3618)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057VAL-181ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ARG-062LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ARG-141GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-10.2197)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ASP-279LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-108.9478)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058GLN-067PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7659)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058GLN-067PHE-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1934)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058HIE-067GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7965)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058HIE-115GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.3306)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ILE-097TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.9682)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LEU-071VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9758)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LEU-084LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.2565)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LEU-094GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8895)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LYS-122VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.4676)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-062ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0522)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-062TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.7749)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-070TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.1744)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-081PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.4702)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-101ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.3422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-131VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6655)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TRP-084SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.6098)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TRP-180SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-062GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-062GLN-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.6231)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-062LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-8.6950)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-066VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8609)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-068ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8252)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-077ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058VAL-085ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3815)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ARG-065MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6910)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ARG-067GLN-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-23.3155)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ASN-062LYS-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-27.4629)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ILE-068ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8447)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ILE-094LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7009)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LEU-117VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LEU-117VAL-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3952)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LEU-119GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7850)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LYS-063ASP-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-116.4219)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LYS-075TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-7.4583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LYS-135ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.6171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-063ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.9635)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-118THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5237)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-120TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.9519)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-127ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0437)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059THR-088TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1832)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059VAL-084LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0838)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059VAL-136TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6207)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060ALA-081LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7978)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060ASP-165ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=77.4820)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-068PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7634)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-095PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-095PHE-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-098VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5917)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-120VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2682)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-152PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2106)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060MET-070GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.4309)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060THR-087LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-17.9743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060THR-176ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-12.8929)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060TYR-064LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060TYR-128PRO-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060VAL-063TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060VAL-157PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9790)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ALA-080ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3177)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ARG-083GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.7302)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ARG-083GLU-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-91.8157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ARG-084LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ASN-065ASN-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.9532)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ASP-065LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-6.7131)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-080ARG-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-78.2179)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-088PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-5.2447)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-142MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-8.1641)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-145LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.8817)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-064PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-086ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2492)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-089MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5034)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-091ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.1776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-092TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4773)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-098LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8949)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-155ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.8058)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061LEU-065MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6823)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061LEU-079ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5141)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-068VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-086VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2962)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-086VAL-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8554)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-099ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.6004)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-117VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PRO-088PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5165)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061THR-081THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4728)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061THR-083GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-15.8833)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061TYR-066LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.4045)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061VAL-064TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061VAL-066VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.1209)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061VAL-068ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0658)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ALA-070MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4454)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ASP-080ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-86.8332)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-110GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-6.7294)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-112PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5619)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-171PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=1.5187)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-173TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.7896)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-173TYR-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.9021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-070GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-7.9875)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-072LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-073TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=3.8158)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-076ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8747)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-067ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4228)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-069TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.3404)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-105TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6108)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-107PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LEU-075ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LEU-077ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8339)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LEU-079LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LYS-067PHE-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.0567)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LYS-147GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.5677)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062PHE-120TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.0265)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062PHE-128PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.2166)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062THR-099ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-9.9575)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062THR-102HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4718)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TRP-073ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.9799)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TRP-164PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.5181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TRP-166PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-077PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.5158)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-083GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-22.3326)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-084ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2503)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-093ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6624)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-095TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.4472)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063ASN-081THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.3753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063GLN-067ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=12.2156)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063GLN-136TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.7135)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063GLN-165ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-9.9816)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063ILE-077LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4414)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063LEU-068HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5808)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063LEU-108LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7046)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063LEU-140LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3558)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-090GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9183)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-090GLN-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1426)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-091ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0555)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-094VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063THR-092TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6837)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-081TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.9952)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-085MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.6045)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-098LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5267)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-136PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6563)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063VAL-067LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6148)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063VAL-154THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6916)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064GLU-111TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6865)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-072PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5295)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-084TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.1806)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-084TYR-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.3494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-090TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2798)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064PHE-097PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4408)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064PHE-123THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1442)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064PHE-125TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.1903)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064SER-171PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=1.3544)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064THR-116PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9286)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-068LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-5.3087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-078PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.6441)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-082VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-083LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-164PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.8876)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064VAL-073ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.2784)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064VAL-143GLN-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.0072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065ALA-070PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8521)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065ASN-110GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.4915)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065ASP-110GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-5.3945)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065GLN-088TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4151)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065LEU-077VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7311)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065LEU-080VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065MET-117PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.3928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065PHE-095LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8217)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065PRO-101LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7060)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065PRO-111TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.1563)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065SER-068TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.2809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065SER-108TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.1253)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065THR-069ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065THR-082LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3297)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065TRP-146THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1832)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065TRP-154THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7355)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065TYR-090PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.0999)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ALA-084ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4730)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ALA-136TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4148)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ARG-167GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-118.2299)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ASP-069ARG-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-93.3847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066GLN-070ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.8513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066HIE-069GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.8307)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ILE-146VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7808)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066LEU-073PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1805)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066LEU-138THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6029)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066PHE-075LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8986)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066PHE-109SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3713)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066PRO-095TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.5583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066TRP-109TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.8273)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066TRP-110PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.0479)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066VAL-085ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.0050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067ARG-077ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.0424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067ASP-070ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.5066)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067GLN-115GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-5.9614)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067GLN-117PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.6806)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067GLU-139TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.0423)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067HIE-070HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.8840)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067HIE-086GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.6044)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067LEU-078LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8577)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067LEU-107LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8182)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067LEU-109VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6113)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067PRO-095TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.7361)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067PRO-101ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7283)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067SER-073TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6565)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067THR-080TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1537)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067THR-082VAL-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0156)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067VAL-085ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=1.5046)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ARG-072THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-12.4903)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068HIE-075LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-10.7233)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068HIE-080GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=1.4300)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068HIE-123ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-25.7263)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ILE-072LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.3170)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ILE-084TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.9946)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ILE-091LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.2056)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068LEU-081VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5867)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068LEU-146PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2512)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068MET-131LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.0923)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-076LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.1294)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-076LEU-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3457)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-077ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6737)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-077VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9178)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-080LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9793)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-080VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0900)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-083LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9402)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-110LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8843)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068TYR-073ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0549)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068TYR-078ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.4566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068TYR-082HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7894)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069ARG-075ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.1460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069ASN-119VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8381)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-076ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0873)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-076ILE-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-6.6415)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-078ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-117.1846)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-123ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=61.4901)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069HIE-075ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8172)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069HIE-078PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.2333)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069ILE-101ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.2940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069PHE-078GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-6.0122)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069PHE-080TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.3834)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069PHE-166TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=1.4593)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069THR-080LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-073TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.8057)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-086GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-086ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7012)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-114VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5530)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070ASN-080GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=7.3173)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070ASP-076THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-15.0882)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070GLU-073LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.1487)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070GLU-073LYS-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-92.6765)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070MET-075ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1740)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070PHE-120TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.7125)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070SER-082VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9260)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070THR-120ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=5.3181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070THR-124THR-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.6818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070TRP-084VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070TRP-138LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.5338)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070TRP-174PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.4248)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071ASP-074LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.0872)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071LYS-195ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.3892)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-080ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0947)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-080LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0530)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-086ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-108ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1262)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-114SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4239)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071SER-082HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-5.6155)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-076LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3148)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-078GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.9105)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-099TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-6.4895)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-100SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.0006)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-125PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.2662)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-165ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3487)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-166TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.2926)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-077ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4725)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-083ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5733)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-085ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4481)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-119VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.0759)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ARG-116ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-93.8403)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ARG-118TYR-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-6.0779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ASN-075ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-18.4586)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072HIE-093TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.0944)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072HIE-095PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.1953)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-077PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4865)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-082HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.8622)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-116PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0260)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-116PHE-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6478)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072THR-175GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9693)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072TYR-076ARG-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4888)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072TYR-127ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5767)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072VAL-176PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7660)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ARG-076LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.4298)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ARG-119ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-102.7478)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ARG-163ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5855)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ASP-135ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-110.9590)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ASP-193VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.4598)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073GLU-077ASN-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.1883)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073GLU-119SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-18.9516)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ILE-128ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073LEU-120TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073PHE-077TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.6874)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073PHE-079LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8177)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073SER-090SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6222)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073SER-178SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4105)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073TRP-089TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.4144)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073VAL-111ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1369)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ALA-083TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9993)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-130TYR-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4264)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-135SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3982)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-135SER-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-12.4577)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-136GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.7363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-147TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.8282)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-147TYR-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-6.0663)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074GLN-094ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-5.7577)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074GLU-096ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-61.6057)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LEU-079TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2130)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LEU-102PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4243)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LEU-107PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.4727)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LYS-127ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7172)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074PHE-080LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.4150)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074PHE-083HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.8948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074SER-091PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7986)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074SER-111GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-20.5416)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074VAL-080TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.4796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074VAL-083ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9192)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074VAL-190LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4808)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075GLU-079GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-12.6013)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075GLU-079GLU-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=75.7374)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075ILE-080ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075ILE-112LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5379)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075LEU-094ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075LEU-111LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3969)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075LEU-111LEU-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075PHE-093PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075PHE-182ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.2398)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075PHE-184PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3362)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075SER-078TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075SER-111ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-16.9482)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075TRP-176ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.6580)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-079GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-96.7392)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-120TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.7722)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-208TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.8420)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-208TYR-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-6.0653)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-084LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-089TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-25.6368)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-091PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4348)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-188GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-20.3899)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076GLU-170LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.8532)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ILE-094ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4716)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076LEU-086MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.2440)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076LEU-117ILE-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.1342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076LEU-123THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5612)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076PRO-111TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076PRO-112LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.1432)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076SER-082PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076THR-090SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-5.3607)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-125ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.4439)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-125ILE-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3574)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-136TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.8640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-139ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.2340)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-143TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-5.2392)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ALA-096ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2481)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ALA-138ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ALA-138ARG-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.2598)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ASP-080ARG-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-85.3422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077HIE-111LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0699)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-102PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9924)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-112ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9078)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-125VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1885)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-128TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1389)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-128TYR-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5575)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077LEU-093VAL-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.1989)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077LYS-178VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.6158)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077LYS-186ASN-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-19.3002)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-089PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.5582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-093ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.0000)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-097LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5808)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-116PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7683)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-160VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8042)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-162PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3336)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-201ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-6.4629)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-205GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-8.7054)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078ALA-126VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6073)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078ASP-157LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-104.3221)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLN-085LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4693)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLN-088GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-20.7249)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLU-099THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.2269)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLU-127GLN-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-23.3779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078HIE-081PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078LEU-108VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.1465)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-082VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2358)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-096ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0732)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-104TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.5057)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-107ALA-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0036)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-108LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1770)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-179LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.1071)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-215ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-218LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8864)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-218LEU-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.1306)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PRO-115PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5880)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PRO-186ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.6176)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078SER-184PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.7782)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078TYR-082PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.9487)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ARG-083ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-97.9668)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ARG-182ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-110.6104)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ASP-131HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-27.5375)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ASP-135ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.9498)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079PHE-089PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4176)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079PHE-100THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.8965)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079PHE-104LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4406)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079SER-088ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8333)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079SER-208TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079THR-089LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0761)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079THR-089LEU-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4672)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079THR-110THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-5.2341)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-084PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.4848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-109VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8679)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-112LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7611)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-112LEU-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1138)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-146PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.5105)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-153TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7836)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-167GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=1.4181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079VAL-087LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3814)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079VAL-094ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ARG-088PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.9920)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ARG-090ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.3751)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ASP-087LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-112.3417)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080GLU-092ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.2712)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080GLU-155ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-119.1610)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ILE-112LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5877)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080PHE-085LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.1190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080PHE-098SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6170)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080PHE-166PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0129)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080THR-090ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.1490)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-088LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3709)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-090TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.1643)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-095ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.1174)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-108LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.5396)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-136ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5220)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TYR-129TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.2121)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TYR-172GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=1.3127)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ALA-088ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8756)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASN-084LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.9077)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASN-085SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3974)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASN-100TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-5.9940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASP-092SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-18.6479)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLN-085ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-22.3135)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLU-101ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=5.5575)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLU-103GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6302)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLU-103GLN-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-13.7793)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081HIE-202PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.0209)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ILE-085ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.7400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081LYS-105VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.2486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-106CYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=12.5121)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-134GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5960)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-134GLU-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-8.7894)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-138ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-5.0243)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081SER-087PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4989)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081TYR-085ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.0721)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081TYR-130VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6904)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081VAL-105TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081VAL-149HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3955)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ARG-088PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.0201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ARG-088PHE-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.6318)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-121LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5957)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-135ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9658)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-136PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5889)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-186VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9950)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082LEU-176PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8418)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082PHE-091ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.8081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082PHE-102TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.8998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082PHE-104VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9962)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-108LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4895)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-126SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6131)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-127PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.9124)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-130VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7127)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ASP-089HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-23.3015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ASP-105TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=3.7891)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ASP-136ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-94.0446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083GLU-094TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-7.3542)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083HIE-086GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-25.3544)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083HIE-089ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-25.1113)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ILE-155ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7774)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ILE-173LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5514)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-087LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3260)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-088TYR-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6623)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-101GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0183)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-108VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083THR-086MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.7139)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083THR-087GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3252)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083TYR-087PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.0607)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083TYR-094TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3910)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083TYR-096ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.8249)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-087LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8589)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-094PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9358)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-094PHE-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8032)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-103TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6003)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-140TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0616)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-153PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.2790)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ARG-089ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-87.6049)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASN-099LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASN-103TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-8.0974)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASP-087PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.5398)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASP-107ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-13.9134)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASP-126VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.4935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084CYS-090LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-11.0329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084LEU-090LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6759)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084PRO-122PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3185)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084PRO-135PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084THR-107PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.9701)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084THR-108TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8835)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084TYR-089ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.6671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084TYR-095LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3696)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085ASN-099TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085HIE-094TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.8420)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085HIE-101TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.7211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085ILE-089ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085ILE-103LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4038)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-094PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-108LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5237)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-137ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2138)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-138LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8375)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LYS-088GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-111.5640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LYS-094TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.3228)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085MET-136PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1194)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085PRO-090LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085TRP-089ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.0790)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085TRP-135LYS-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-7.3821)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ALA-101GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ALA-104TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ALA-136PHE-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.1963)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-091ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-6.2226)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-092TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-6.3838)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-112TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-10.8499)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-115ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-111.9078)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086HIE-089GLU-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=14.6286)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086PRO-090ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5364)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086SER-136TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.4524)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086VAL-105LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7280)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086VAL-116VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6952)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087ALA-171PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.1132)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087ALA-173TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4315)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087ASN-091LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=3.3070)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087CYS-119ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=6.2430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087CYS-121LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087GLN-139ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-6.5120)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-095PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4758)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-095PHE-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2236)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-096TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0994)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-109VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5312)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-153PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.2334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087PHE-126VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7947)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087PHE-186VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5166)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087PHE-188VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0616)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087VAL-102LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.1211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088ASN-092ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3664)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088ILE-135LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088ILE-135PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4735)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088LEU-108ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6474)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088PHE-092LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ARG-106ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-92.4369)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ARG-108TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-12.3471)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ARG-131VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.3848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ASP-092PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-5.2274)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ASP-112ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-13.8181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ASP-131VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.5588)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089CYS-105LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089GLN-117PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.9748)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089GLN-125TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6267)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ILE-112TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7489)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089LEU-127VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089THR-098LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6252)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089THR-098LEU-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6737)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089TYR-094TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089TYR-153VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ALA-121PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7918)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ARG-187SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-8.0986)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090GLU-119ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-101.6269)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ILE-099LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7527)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ILE-107SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1710)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ILE-190VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4293)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090LYS-122ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-5.7148)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090LYS-122ASP-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.7305)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090PRO-129TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6611)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090PRO-154VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6132)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-095ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-8.4206)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-095ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3620)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-099ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9408)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-105LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7862)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-112GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=6.0053)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-113ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.3939)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091ASN-096TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-6.9067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-098SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.5819)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-118THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6600)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-118THR-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.6355)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-121LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.0840)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-122ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=11.4312)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-125HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-127VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9864)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091LYS-140SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9677)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091LYS-140SER-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-16.9379)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091THR-094HIE-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-6.5529)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091VAL-094ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.2354)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092ALA-164GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7669)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092LEU-095HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5883)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PHE-099TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.5657)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PHE-120VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9520)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PHE-131VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0029)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PRO-102HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PRO-133LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0802)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092TRP-100GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=22.0602)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092VAL-117PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1463)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ALA-099THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8123)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ALA-164ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.5025)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ASN-096LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7191)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ASP-097THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-21.7190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093HIE-118GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.9650)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093HIE-120ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6472)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093PRO-184PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6006)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094HIE-099THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5150)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094HIE-104PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.8033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094ILE-114TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0261)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094LEU-132VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9126)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094LEU-182MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094LYS-112ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-122.1831)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094PHE-098ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.0018)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094PHE-141ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7267)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094PRO-135MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8717)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094TYR-097THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094TYR-151VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9027)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094TYR-153VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.8015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094VAL-125TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9370)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094VAL-152LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.2169)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094VAL-166PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5186)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ASN-164ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-23.0913)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ASP-102TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=4.7994)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095GLN-098TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.0018)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095GLN-185THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095GLN-187ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-6.1776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ILE-120TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ILE-120TRP-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9781)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ILE-144THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6147)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LEU-103ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5117)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LEU-130VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7097)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LEU-133LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7620)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LYS-107ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9695)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LYS-109THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-14.9013)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LYS-127ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-6.2499)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-099LYS-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.6227)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-118ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8210)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-154ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-160VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-160VAL-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5101)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095SER-114THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2063)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095THR-182ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=1.6444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095TRP-099LEU-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5051)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095TRP-104VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8291)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095TYR-106TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.4264)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ASP-100ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-21.5866)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ASP-101GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-22.4471)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096GLU-121LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.2160)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-101GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.3219)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-103SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-5.5360)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-126LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.8478)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-127ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=12.1807)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-132VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ILE-127VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3924)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ILE-127VAL-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.1845)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096TRP-110LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0821)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096VAL-105LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.0356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096VAL-108THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8428)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ALA-105LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6238)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ALA-117HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ASN-102TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.9315)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097GLU-101ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-103.3617)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ILE-105THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0240)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097LEU-111PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097LEU-113ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=1.2817)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097LEU-128PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3127)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PHE-103ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.2782)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PHE-181TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.6994)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PHE-183ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0140)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PRO-106ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6455)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TRP-145LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5317)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TRP-173TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.0232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TRP-213ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1521)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TYR-101TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.7706)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TYR-179LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.6190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TYR-179LYS-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.7030)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097VAL-112TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8123)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098ILE-145ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6378)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-101VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0086)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-115SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0484)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-117ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5585)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-136PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9416)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-144VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5414)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-144VAL-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6288)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-146TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1168)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098PRO-101GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4885)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098PRO-102ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.0995)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098PRO-114PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8253)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-112PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.2218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-127VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.0276)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-138TYR-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=2.5460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-164ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-17.4521)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-101GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1877)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-105TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7310)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-152ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-286TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-287LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-102HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.4406)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-147VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.8443)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-149ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-177ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-104.2336)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-216GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-87.5899)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099GLN-108GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.8657)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099GLN-148HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.4155)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ILE-103ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099LYS-104THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8908)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099MET-107ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099MET-126VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.0957)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099PRO-104TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.8630)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099PRO-164PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1274)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099PRO-166GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.0188)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099TRP-118PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099TRP-272GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-24.0539)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ALA-112PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6298)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ASN-113LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ILE-103HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8568)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ILE-104LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.9479)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100LEU-130VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7091)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100LEU-134ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3894)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100LEU-142LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5043)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100SER-119GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-20.4466)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100SER-131VAL-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100SER-148ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=2.0895)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100THR-104LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6445)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100TRP-103LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-11.3982)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100TRP-103LYS-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3490)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100VAL-283ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6559)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ALA-104ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.2216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ALA-128ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7183)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ALA-138TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5665)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ARG-142LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.1083)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ASN-125HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.2739)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ASP-145THR-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-18.7140)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ILE-110LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0008)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ILE-110PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5879)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ILE-123ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101LEU-111TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3573)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101LEU-125TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8144)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101LEU-132ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5945)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TRP-132VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9732)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TRP-135LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.7153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TRP-177ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9546)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TYR-151VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5233)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101VAL-106LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9570)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101VAL-132PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4586)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101VAL-132PHE-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3774)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ALA-114PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.1969)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ASP-106SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.5746)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-109TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.8498)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-127GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8074)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-269HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.8591)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-270TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.9866)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-272GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-5.4926)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-110ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5639)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-145ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5853)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-149TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-149TYR-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.2326)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-153PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102SER-165LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-8.3101)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102SER-169ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-17.9642)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102VAL-133PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9521)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ASP-149TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-22.0415)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ASP-269HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-11.1531)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLN-108PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.7995)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLU-106LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-113.1855)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLU-108TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-20.4065)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLU-177ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=81.5001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103HIE-168TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-11.1156)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ILE-110VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ILE-130VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6477)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ILE-132PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8053)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103PHE-122MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103PHE-127LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9029)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104ALA-125TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4406)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104MET-112ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104MET-133PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-107ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7548)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-129ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.3698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-147LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5007)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-166GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-21.7571)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-168LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6668)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-169PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2472)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-202PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.1589)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-205GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1851)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104VAL-108ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6881)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104VAL-112SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6046)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104VAL-126ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7751)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ALA-115GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5677)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ASN-139VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1624)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ASN-146GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.8940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ASN-154ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=4.8599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ILE-128LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.2768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ILE-131ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5835)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ILE-135LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6811)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105LEU-114TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.0467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105LEU-168ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0795)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105LEU-175PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6576)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PHE-127LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9884)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PHE-130ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.8608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PHE-130ARG-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6997)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PRO-128ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.1475)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PRO-181TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-8.2440)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105TYR-149HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.4836)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106ASN-130HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=1.4375)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106ASP-133GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=4.9421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106GLU-129LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-113.4735)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106ILE-168ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4135)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106LEU-126LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3811)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106LEU-149PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6339)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106LEU-149PHE-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.0966)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106PHE-109PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.2223)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106PHE-178LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.5311)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106SER-128PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.3712)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106TYR-112SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0959)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106VAL-112LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107ASP-125ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-24.0585)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107ILE-153TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9605)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107ILE-158MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107THR-125ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6854)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107THR-129LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-18.1742)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107VAL-147PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0036)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107VAL-147PHE-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108ILE-122VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6795)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108ILE-146GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5438)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108LYS-131ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108LYS-160LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.2838)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108PHE-125TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.8205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108PHE-127PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6783)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108PHE-150VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9843)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108TRP-151ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.9209)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108TRP-155VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7521)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109ARG-115GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-113.2857)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109GLN-161GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5763)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109GLN-161GLU-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-13.0699)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-113ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.1205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-181ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9540)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-182VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3655)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-185VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-228TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.6900)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109SER-137ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=1.4822)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109THR-131VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109THR-158MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8800)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109VAL-164ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4415)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ALA-161PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.8545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ALA-164ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6141)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110GLU-129LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-114.6017)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-116PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1367)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-149ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2068)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-151VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0822)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-162VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9491)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110LEU-125VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4405)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110LEU-127ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4221)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-123ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3071)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-128PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6531)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-222TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.4026)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-226LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1661)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-226LEU-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110THR-127GLN-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-5.8908)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110THR-129TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-5.4083)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111ASP-156SER-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=8.3133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111ASP-193HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-10.2486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111HIE-218LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.4588)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-116ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-130TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3418)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-158LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5046)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-169LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5163)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111TRP-115GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.3887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111VAL-125ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ALA-128PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9086)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ALA-131VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9376)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ARG-115ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.9162)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ARG-125PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.1168)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ARG-127GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ASP-183GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=84.2410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ILE-125VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.2773)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ILE-142ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0558)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112LEU-142PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2778)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112LYS-127LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9994)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112PHE-121LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5673)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112PHE-125HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4007)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TRP-119ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0170)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TRP-119ARG-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.0931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TRP-120VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6144)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TYR-125GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.2804)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TYR-128LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9617)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TYR-190ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-8.2782)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-118ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.1096)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-120VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6970)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-122VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-225TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0586)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ASP-195GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-14.5946)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-131VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5464)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-164HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2877)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-185VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.1671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-190ARG-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.0555)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-232ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0901)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113LYS-117GLU-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.7470)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113LYS-170VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8373)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113LYS-173GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-123.9480)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113SER-120ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5295)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-119PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.0404)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-124HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.9371)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-126ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9642)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-171ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-22.0760)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-178ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.2793)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TYR-124THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1739)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113VAL-120HIE-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.0937)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113VAL-143PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9217)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114ALA-160ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5685)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114ASN-122ARG-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8507)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114ASP-179LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.6781)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114GLU-144ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-7.8935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114GLU-146ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-120.3139)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114LEU-118ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5560)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114LYS-225TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.0647)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114VAL-167GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.0769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115ASN-124LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1624)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115ASP-156ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=83.6221)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLN-118ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.7961)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-123PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1372)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-123PRO-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.0405)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-160GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=62.4207)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-163TYR-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.1991)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115MET-168TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115PRO-129TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.6032)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115THR-138VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115THR-142GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-19.6742)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115THR-142GLU-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-17.7629)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115VAL-122MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7267)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115VAL-123PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8183)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115VAL-130ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.5820)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116ALA-162PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2864)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116LYS-144SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-8.8694)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116PHE-130VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4612)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116PHE-165VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9968)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117HIE-123PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4601)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117ILE-142PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1663)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PHE-125TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.1043)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PHE-130HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4399)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PRO-126ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8982)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PRO-129TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.8094)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PRO-130LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6108)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117VAL-166ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7179)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ALA-160VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.2847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ARG-157ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=8.9111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ARG-185ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=62.4424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ASP-136HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-25.9819)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118GLN-121PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3661)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118GLU-173PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.6174)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118GLU-176THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7669)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-136VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5311)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-165ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4402)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-166TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2434)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-178TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1295)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118THR-121LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0844)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118VAL-162PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5797)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119ALA-160LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5966)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119CYS-168HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.5171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119LEU-137ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.0609)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119LEU-137ALA-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4557)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119LYS-186VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7180)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119MET-144SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0876)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119PHE-124HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.7403)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119PHE-176THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1065)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119SER-123ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.9428)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119SER-140TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6619)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119THR-123THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9915)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119THR-123THR-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4650)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119TYR-174ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120HIE-185ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120ILE-123TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5724)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-123ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5892)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-124ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.9215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-124LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2923)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-135ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7817)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-171TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4570)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-171TYR-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7999)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LYS-138VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LYS-142ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-99.0111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120PRO-126ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5659)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120SER-136HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3281)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120THR-143VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3577)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120THR-147GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-19.8718)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120TYR-141PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3022)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120VAL-123ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8558)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120VAL-154ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8625)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120VAL-275LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4911)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121ASN-132THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2023)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121GLN-144ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-22.2069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121LEU-125HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7852)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121LEU-125HIE-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7934)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121PHE-126VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121PHE-191LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121PHE-219TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121TYR-125LEU-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.0966)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121VAL-157ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122ASP-125LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.0305)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122LEU-188VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5489)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122MET-126GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-7.9939)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122VAL-125ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4906)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122VAL-143VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7207)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122VAL-152PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7248)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123ALA-128VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5423)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123ALA-158ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=1.6061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123ARG-127GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.9899)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123MET-140ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9461)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123SER-182ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8174)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123THR-136SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.0846)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123TYR-154VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9982)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123VAL-134LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4203)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ALA-156THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4965)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ASP-131THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=4.0519)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ASP-132THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-20.0377)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ASP-134ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-112.3613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124GLN-200ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9493)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124HIE-140GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-24.7655)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124HIE-143VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5900)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124LEU-136HIE-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4879)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124LEU-181VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125GLU-192PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-5.2770)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125ILE-136TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125LEU-129LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3186)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125PHE-143VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2833)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TRP-138SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.3271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TRP-150VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1899)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TRP-152LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.9891)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TYR-164HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.0290)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ALA-140GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9140)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ASN-129ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.9955)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126GLU-130ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-104.7155)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ILE-136PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8170)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ILE-139PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2692)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ILE-139PHE-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.6589)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126LEU-130HIE-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126LEU-162PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9278)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126LYS-158ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126PHE-132HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5437)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126PHE-171TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.5898)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126PHE-176TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.8128)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126SER-171ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7012)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126THR-197TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3527)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127ALA-177ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.4150)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127GLU-146ARG-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-97.3051)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127GLU-269HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2047)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127GLU-269HIE-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=13.0173)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127LEU-210VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4662)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127MET-131LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-132ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3644)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-133SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9862)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-138SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6621)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-140HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.6879)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-158VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9542)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-183TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.2931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-206ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1505)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-237ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0056)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-239PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.0551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128ILE-131LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6042)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128LYS-183TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.5476)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128PHE-235LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7074)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128PHE-252LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6470)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128PRO-275LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128TYR-158MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.0160)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128TYR-160LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128VAL-160LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8643)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129ASN-132TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.7380)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129ASP-140HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-24.9536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129ASP-148TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.0227)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-155PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9704)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-192PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4982)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-195PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.2986)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-277TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.9003)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-277TYR-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129PHE-133VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9419)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129PHE-156ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-7.2573)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129PHE-166PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.0903)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129TYR-133ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-8.5401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129TYR-136TYR-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.4035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129VAL-159PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2295)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129VAL-184PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.8170)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130ARG-170TYR-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.3044)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130ARG-244ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.1255)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130ARG-248GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-76.6321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130GLN-134GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-16.9440)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130GLN-137ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.1201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130PRO-135ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0474)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130PRO-139ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6243)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130PRO-180PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130SER-149HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-8.5382)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130SER-153TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-5.5972)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130VAL-139ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.1215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130VAL-162VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6095)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130VAL-185PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0471)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ALA-140HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8450)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ARG-134GLU-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-79.5664)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ASP-147PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5805)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ASP-182PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.5375)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131LEU-136VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.0749)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131LEU-160MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7801)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131PRO-219VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6898)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131PRO-220GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.1844)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131THR-149LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5855)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ARG-136ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.7872)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ASP-156ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-102.7913)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132HIE-135LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0733)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132HIE-147ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-25.7696)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132HIE-149ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7621)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ILE-135PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8873)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ILE-138TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.0210)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ILE-146TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132LEU-198PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9597)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-162VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5357)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-174SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.8602)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-176VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3489)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-183GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.9708)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132TYR-136PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.8755)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133LYS-136ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-103.0202)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133LYS-198PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4041)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133PRO-151ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-5.1384)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133SER-161GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-17.8988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133TRP-143MET-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.5343)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133TRP-148VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.4955)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133TRP-277TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=1.0751)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133VAL-137ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.8668)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133VAL-146TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.0902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134GLU-138ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-104.4508)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134ILE-147ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.0237)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134ILE-167LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4420)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134LEU-205TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6252)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135ARG-193VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.1167)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135ILE-180PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8673)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LEU-139LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1763)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LEU-163LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.2696)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LEU-179LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3458)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LYS-157GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-105.4157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LYS-177ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9560)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PHE-147TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.1695)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PRO-140SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PRO-144LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9498)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PRO-155PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6423)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135TRP-147GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-6.1965)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135TRP-208ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1811)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136ARG-142ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.3290)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136ASP-198PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-7.0683)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136ASP-201VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.2866)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136CYS-143PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.1627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136PHE-141ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8106)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136PHE-146TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.1994)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136SER-144ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-14.4278)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136TRP-155CYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3905)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136TRP-165ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-22.5841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136TRP-179MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136VAL-169LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6724)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137ARG-154TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.7366)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137ARG-154TRP-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-6.7495)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137ARG-157GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-101.1592)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137GLU-143MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-5.1981)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137SER-156ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9793)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137TYR-166SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3188)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138ARG-142GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-92.6550)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138ILE-156ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.9496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138LEU-149PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2202)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138PHE-153PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.6279)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138SER-169VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138TRP-146PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.2447)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138TRP-243LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.2970)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138VAL-144ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139ASN-154SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-5.0231)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139GLU-144LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-116.3350)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139ILE-143TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3048)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139LEU-204TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3557)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139PRO-180PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3875)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139TYR-148SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5290)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140GLU-143VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.9088)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140GLU-155THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-16.8280)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140GLU-156ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-118.9482)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140LEU-168LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.2068)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141GLN-160PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8805)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141LYS-144GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-111.1932)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141MET-155ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5989)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141PHE-152PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.2790)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141SER-144ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-13.8660)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141SER-154ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4113)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142GLN-154GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-5.4459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142ILE-155LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5074)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142ILE-155LEU-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7230)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142ILE-185VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9694)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142PHE-170ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9024)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-147LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-9.0740)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-148TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.9206)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-150VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.2301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-160PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.0259)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-170ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.1314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-199THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3901)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-203VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8667)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143ARG-187ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-115.9352)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143ARG-188LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=62.4353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143GLN-147GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-23.3409)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143ILE-146VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5097)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143LEU-160ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.8285)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143TRP-146LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-5.1557)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143TYR-150ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.9837)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143VAL-147LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6738)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143VAL-152PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0511)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144ARG-147GLU-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-92.4253)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144ASP-150SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-15.3063)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144ILE-155THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144LYS-161GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-122.2728)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144PHE-153LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.1297)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144PHE-155ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7296)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='145GLN-149MET-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=3.4844)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='145LEU-149PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9577)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='145THR-149PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146ARG-207GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-118.5492)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146GLU-158SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=9.1663)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-149PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.7247)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-150LEU-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7752)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-150VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5398)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-164TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1943)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-165PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1655)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-199LYS-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.8439)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146VAL-161VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6550)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146VAL-161VAL-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5180)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146VAL-165HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5169)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147ASP-171TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-25.1642)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147ASP-188LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-111.0975)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147LYS-203VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6368)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147PHE-159PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.7875)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147PHE-182PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.9314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147VAL-175SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8673)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148ALA-158LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148HIE-152GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.6638)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148ILE-202VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6109)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148ILE-204ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.4972)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148PHE-164HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.7326)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148PHE-165TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.4083)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148SER-163ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8680)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148TYR-170ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2823)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-167THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2810)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-171TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.9834)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-175SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.9900)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-177ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-6.3580)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149LEU-152GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-159ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.9615)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-164PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1620)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-165PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7567)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-169VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6239)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PRO-152GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.1496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PRO-152PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9123)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149THR-157PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9667)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149TYR-153PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.7820)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150ARG-157ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-112.9670)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150ARG-208ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.2843)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-153PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8636)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-154TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-159PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2228)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-167LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4686)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-170HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0579)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-202LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8993)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-203GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.4721)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LYS-158LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5702)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='151ILE-159VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.0370)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='151SER-159PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.2406)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='151THR-163THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=5.1934)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152ASP-156LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-5.2064)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152ASP-158LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2782)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152CYS-197VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.5800)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152LYS-156ASP-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-115.2640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152LYS-277TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.6900)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153ASP-156ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-67.2201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153ASP-200ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-106.1164)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153LYS-203GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-115.4356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153PHE-163LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153TRP-158MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.7340)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ARG-204ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=61.7433)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ARG-208TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-10.8210)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ILE-159GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5934)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ILE-160VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5674)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154LEU-191TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2376)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154LYS-159ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6673)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154TYR-203GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=4.8259)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154TYR-207ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.4112)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PHE-197TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6450)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PHE-277TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.0784)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PHE-284LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9307)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PRO-170TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3368)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-171ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-94.8293)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-172THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-14.4558)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-197GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-114.0796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-200TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.6622)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-200TRP-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-12.2843)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156SER-191TYR-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157ASP-202VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.3193)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157ASP-204ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-118.0887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157ILE-160CYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3806)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157MET-181ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3174)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157MET-192ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0725)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157PRO-161VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157VAL-167PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2660)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158ALA-193HIE-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9564)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158ALA-284LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4475)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158ILE-164LYS-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158LEU-172THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.2450)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158VAL-169VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.0073)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158VAL-205TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2202)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ALA-197TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159GLU-170LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.4377)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-172TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6657)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-199LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-200TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5614)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-203PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4730)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PHE-206ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7617)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PRO-164VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6101)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PRO-178TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.7419)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PRO-192ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0678)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159VAL-180LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1242)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160LEU-164TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160MET-169LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1534)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160PHE-169VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160PHE-203VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0933)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161ARG-285ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-86.5020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161ARG-288ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.2194)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161ARG-292GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-119.4993)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161THR-194VAL-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.2391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161TYR-201ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.3343)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161TYR-204ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2226)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161VAL-170LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5682)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162ALA-174ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7222)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162ALA-175TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.3100)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-198PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0906)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-201LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4178)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-203VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-208ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.0287)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-284LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4101)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162PHE-168LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.0493)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162PHE-207ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2999)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162VAL-167CYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162VAL-167TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162VAL-167TYR-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1167)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ARG-201LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.2626)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ASN-166ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.8012)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ASN-196ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-5.7863)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ILE-166CYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7364)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163LEU-171ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5969)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163LEU-175LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.1746)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-174ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.1064)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-178TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.7101)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-180LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9855)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-180LEU-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2754)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-183LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-6.3534)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-184VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1611)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-187GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=4.0809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='164VAL-171ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9244)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='164VAL-225LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6168)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165ALA-292GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.3169)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165GLN-224MET-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.9939)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165LYS-169ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-112.2984)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165PHE-169VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5326)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-168ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=3.2532)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-171VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5839)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-208ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9177)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-208ILE-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6031)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165VAL-177ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5853)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='166ILE-187ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5017)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='166PRO-171VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6222)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='166PRO-172VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4561)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='167GLU-187ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-116.8615)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='167PHE-170TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.7216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='167PRO-170VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168HIE-180GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-24.3699)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168ILE-178VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5135)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168LEU-172ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.4699)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168LEU-211ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.9795)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168TYR-203ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2274)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168TYR-224MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169ASP-172SER-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-18.5386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169LEU-181TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4156)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169LYS-172ILE-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.8317)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169LYS-291ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5245)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169MET-184VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.1822)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170ALA-175TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170HIE-174LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170LEU-178LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0188)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170LEU-186TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3870)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170THR-180GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6683)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171ASP-176THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-17.3667)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171THR-180SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-5.1231)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171TYR-180PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=2.1767)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171TYR-231VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='172ASP-204TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-25.5021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='172ILE-235VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6148)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='172TYR-193VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8957)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173ARG-234ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-116.2711)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173ARG-296LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=58.6283)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173CYS-269HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173CYS-270TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1197)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173LEU-190VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5784)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173PHE-176THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9780)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173TYR-211PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1766)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173TYR-213ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.0851)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173TYR-245ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174ASN-178LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-24.5508)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174MET-177ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1979)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174THR-205LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4156)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-203VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-205PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6759)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-270TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.2698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-273GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7642)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-273GLU-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9034)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='175LEU-233ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='175VAL-268LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='175VAL-274ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-6.8166)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ALA-195LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6593)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ARG-182GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-114.4306)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ARG-273GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-76.3566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ILE-198PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ILE-201ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5158)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ILE-205LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4631)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-204TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7896)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-208ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7132)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-208ALA-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-214PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5480)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176THR-180LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7911)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='177ASP-216GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=70.3818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='177GLN-190VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='178SER-239ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-18.7156)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179ALA-225TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8890)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179ALA-238MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7706)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179ALA-250ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8026)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179LEU-239PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179TYR-216GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=4.3522)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179TYR-250PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.8974)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179TYR-258TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.3026)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180ASN-219SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.7852)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180ASN-229TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.6147)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180GLU-187ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-101.2036)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180GLU-189ARG-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-105.1622)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180GLU-194ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-115.0847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-184VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-209TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-11.1046)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-214PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5999)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-224ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8641)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181ILE-228TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2082)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181THR-195SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-5.0524)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181TRP-185GLN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.1646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181TRP-189SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9223)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181TRP-258TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.7936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ASP-186ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-11.2051)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ILE-192ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8115)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ILE-239PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0450)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ILE-242LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5483)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182PRO-186LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4461)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182PRO-186LEU-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1191)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182PRO-189ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.0586)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-190LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4326)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-194ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8898)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-205LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.0611)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-209TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=2.0627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183TYR-186LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-14.7945)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184ASP-187ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-87.7107)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-205THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.8616)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-209LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-225TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.3553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-228VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3332)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-238MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.8259)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-255TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6413)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184THR-220ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4653)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184VAL-225GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5721)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185PHE-190LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.0562)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185TYR-220PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5637)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185VAL-224ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.1787)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185VAL-228TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186CYS-192PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9007)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186GLU-189LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-108.8503)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186LYS-191VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7004)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186LYS-191VAL-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4732)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186TYR-273GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=4.9088)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186VAL-208PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2043)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186VAL-223LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5839)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='187LYS-193THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5647)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='187LYS-193THR-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6839)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='188LYS-225GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-5.2390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189THR-199LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.2038)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189THR-205PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4124)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189THR-207GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-16.4334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189TYR-232ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5942)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='190ARG-235LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.0705)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='190LYS-193GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-108.7994)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='190PHE-199LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3247)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='191LEU-219TRP-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.4290)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='191TRP-229TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2548)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='192GLN-197VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6504)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='192ILE-242LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5709)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='192SER-269ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-9.7132)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='193HIE-248MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='193HIE-301MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.0214)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194ASP-269ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-119.1774)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194ILE-205LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6007)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-198PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.9295)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-201LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.8995)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-217PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-233ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.8874)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-237ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5949)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-241TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.6444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195ASP-241TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=6.0184)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195LEU-205PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195LEU-237ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3814)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195LEU-269ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.5971)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195PRO-198PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.7502)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-218GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=10.6211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-221MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8442)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-249ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6726)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-249ILE-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5347)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='197TYR-201LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7858)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='197TYR-252PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.0002)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='197TYR-284LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198ASN-201LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7789)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-205PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4516)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-217PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-284LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0552)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-287LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='199LYS-207GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-108.8157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='200TRP-204ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.2682)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='201LEU-284LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6155)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='201SER-209ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.3353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='202TYR-212ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7039)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='202TYR-241TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.2480)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='203VAL-291ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6976)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205LEU-212ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8423)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205MET-223ASP-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-5.5950)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205MET-224MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6754)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205THR-209LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7279)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='206ASP-210TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-27.3457)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='206VAL-231TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4105)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='207PRO-216VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4864)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='208ALA-214PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2227)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='209TYR-214PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.7844)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='210GLU-213LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-109.7039)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='210TYR-216ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6991)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='210TYR-286TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.1380)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='211ASP-214LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-114.6762)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='211PRO-245ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7737)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='212ALA-221GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.4554)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='212ILE-243LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.8343)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='212PRO-215ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='214ILE-217PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='215ALA-282PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7808)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='217PHE-234TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.0614)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='217PHE-247ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='217PHE-249TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.5984)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='218ALA-249TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.6008)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='218ALA-258TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5905)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219SER-229TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.5490)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-222TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4943)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-222TYR-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6790)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-272ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-286TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2055)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-288LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.1391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='220ALA-256THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7276)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='220ALA-286TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.2250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-226LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-4.2033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-230LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-111.5317)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-231TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=7.2563)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-262SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-18.2270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-263SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-18.5867)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-265GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=81.0639)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='222ALA-249ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6397)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223ASP-286TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=4.6999)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223ASP-288LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.5805)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223ASP-289SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-19.7239)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223LEU-227ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=1.1292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='224MET-229PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.4276)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='224MET-229PHE-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4260)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='225ASN-228ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6852)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='225TRP-228VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='225TRP-252GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.4133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-233LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.3334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-247VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1106)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-294TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.3957)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-294TYR-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LYS-262SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-17.7796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='227HIE-255SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.3896)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='227HIE-256LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.2310)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='227HIE-289SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.0539)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='228ARG-232GLU-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-91.9321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='228VAL-254THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3694)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='232PRO-290LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234ASN-237ASN-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5452)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-260LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.8827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-262VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-286TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.0584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-286TRP-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.4089)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='235VAL-294ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6055)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236ILE-258LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.4401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236ILE-260ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9229)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236PHE-262VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.9389)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236PHE-279ILE-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.8172)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236PHE-282GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0797)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237ILE-267ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237ILE-269ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5454)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237TRP-246PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.0448)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237TRP-249ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.6209)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237TRP-263ASP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.0219)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='238MET-247PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0515)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='238MET-255TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.1960)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='239ASP-244THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-3.7246)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='239ASP-271PRO-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-12.3067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='240ASP-270SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-17.9297)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='240PRO-268LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='241ARG-272GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-92.2428)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='243LEU-269HIE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.4045)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='244SER-294TYR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5100)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='245ILE-250ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7418)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='245PRO-248GLU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.3178)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='248MET-298ARG-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9266)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-269MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.6359)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-276ILE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.3576)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-297PHE-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.5674)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-300LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7454)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='250ILE-255TRP-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.8625)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='250ILE-255TRP-2', method='SCSCCSDAF12', mode='CP', basis='adz', value=-2.2634)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='251LEU-269MET-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.3629)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='252PRO-258ALA-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.5765)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='253ALA-261THR-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=0.8373)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='253ALA-302SER-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0180)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='255TRP-261VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.8421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='258LEU-261VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7411)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='261VAL-266VAL-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.2406)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='264ILE-271LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.7043)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='270SER-283LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9155)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='273PRO-283LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.0821)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='274ILE-279LYS-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-0.9800)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='275ASN-278LEU-1', method='SCSCCSDAF12', mode='CP', basis='adz', value=-1.1622)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-005ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-61.7013)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-013ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=63.2766)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-015GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-80.7472)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-159VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.0710)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ASN-026VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7807)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ASN-030MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.8643)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ASN-097GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-16.8512)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001HIE-099GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6105)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LEU-071LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7747)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LEU-154LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6312)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LEU-190THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5546)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LYS-027ASN-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=19.9405)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LYS-027THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8229)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LYS-027THR-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=1.2543)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-005GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.3635)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-027VAL-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=2.7734)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-031VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=2.3171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-047GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-5.2416)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001PRO-046ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.1039)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001SER-030GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.2015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ALA-101ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8293)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ARG-006GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-90.8034)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ARG-020PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.3133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ARG-046LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.3016)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ASN-022GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-21.3226)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ASN-026ASP-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-8.4043)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ASP-145HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-6.6822)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-005GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8365)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-006GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1340)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-153PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6889)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-163LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-006GLU-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9914)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-007ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8007)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-035GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-110.6545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-075ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-22.7988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-080ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9674)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-082TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-8.5420)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002MET-031TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002MET-050ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0077)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002TRP-012VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7945)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002TRP-138SER-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-5.8911)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002TRP-139LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-009TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6178)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-042PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9955)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-042PHE-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-043HIE-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.2434)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-046SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4586)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ALA-007THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0567)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003GLU-006GLN-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=4.3802)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ILE-062ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2737)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ILE-065SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.1561)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ILE-067TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5247)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003LEU-033LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7377)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003LEU-054LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003LYS-055LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4657)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003PRO-025ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2261)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003SER-096ASN-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.0361)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003THR-181VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003THR-182GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.5476)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TRP-163PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.0730)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TRP-167GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TRP-167GLN-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.5227)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-028VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3635)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-028VAL-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6932)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-030GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.6246)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-054VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2417)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-056ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7298)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-073CYS-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.0222)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-074SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7639)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-096HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.0123)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-009TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-012GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.7445)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-036PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-064TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0260)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-081THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-083PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-118ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-121TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1411)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-024THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-15.4564)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-057ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-057ILE-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.1340)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-095TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5618)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-095TYR-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-6.0857)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ASN-009TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.8705)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ASP-043THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-16.6661)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ASP-194ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-102.8329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004GLN-007ASN-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.6472)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004GLN-056GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-7.1796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004GLU-039THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-16.4705)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-010TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9655)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-031TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2854)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-032HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1409)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-040GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.8393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-179LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-180LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2483)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-180LEU-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-183LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5567)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LYS-030ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.3581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LYS-031ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8754)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LYS-323PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3420)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-116VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1104)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-135LEU-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.9192)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-158LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7976)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-160PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7714)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-007LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1407)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-009TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.6119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-026TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.6093)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-029PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.3581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-068VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6949)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-074ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1198)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-094LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-096TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.5822)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004SER-027VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004SER-030MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-078LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6369)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-132LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-12.9050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-163LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4420)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-164GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-15.9649)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TRP-014ARG-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5707)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TRP-016LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.5363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TYR-075PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4764)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TYR-105LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4154)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004VAL-053LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.0849)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ALA-019PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6950)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ARG-012GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-106.9919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ARG-071GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-95.9030)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ARG-158LEU-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.2483)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ASP-103GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-12.6259)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ASP-128ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-100.9155)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ILE-054SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ILE-234TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ILE-277LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4662)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-010TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-011PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.3370)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-015LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.9446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-023GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8717)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-025ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5155)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-025LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6089)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-030ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.2288)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-030LEU-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-032MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7955)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-037ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-068ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7861)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-077LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5339)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-083HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2339)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-106TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.9414)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-191TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0573)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-022VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7253)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-031TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-037PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6070)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-043TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.2648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-049LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0138)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-050TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.8554)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-155SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8008)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-162GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.1787)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-163LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5104)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PRO-196ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1872)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005SER-028VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6516)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005TYR-166TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.2390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005TYR-168VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7286)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-008GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6208)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-023LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5019)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-035PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4392)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-037ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4365)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-039SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.3025)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ALA-078GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ARG-090TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.9341)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ASP-010THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=6.1378)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ASP-116VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5550)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006GLU-010TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.7836)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-108PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-126VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5884)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-319TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-323PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0837)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-018ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-6.8163)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-039THR-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7357)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-050VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8132)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-053LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9645)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-061PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.2877)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-163LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8697)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006THR-097VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6609)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006TRP-026TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4624)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006TRP-038VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0223)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006TRP-040LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-020VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8297)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-023MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6716)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-024ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7873)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-026LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5197)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-038ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.3262)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-053LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-055GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.2997)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-175PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.8654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ALA-011ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0220)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ALA-021PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ALA-049VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.3544)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ARG-011GLU-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-102.9423)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ARG-062TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0532)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ARG-063PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.7943)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASN-109GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-19.1873)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASP-011GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=7.2566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASP-119SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-5.7435)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASP-131ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-111.3403)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007GLU-033LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.7132)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007GLU-033LYS-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-100.1994)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-015LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-030LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4395)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-030LEU-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5416)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-038TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7503)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-042LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.1607)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-097VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7226)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-017ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8678)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-026VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.1745)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-033LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-090TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3347)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-096TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1617)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-168HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7532)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LYS-011ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-113.2243)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LYS-093SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LYS-099THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7558)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-019VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7577)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-021PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.8377)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-021PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7252)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-022VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3984)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-024VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2252)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-035PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3197)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-084LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7969)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-091ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6708)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-111PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-157ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8659)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-160CYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007SER-010ARG-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-8.5866)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007SER-100ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.7298)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007THR-031LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2622)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007TYR-053TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.0978)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-022SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.0745)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-026GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5360)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-034ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6272)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-038VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-040THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4865)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-154GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7260)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-154GLN-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-191TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-248MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7630)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ALA-034ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.3965)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ALA-035GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.0261)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ALA-038MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6828)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ARG-115SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-15.0304)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASN-030LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-25.4785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASP-018ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.8255)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASP-018ARG-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-111.4278)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASP-058ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4251)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-012HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7995)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-015TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2030)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-032MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6380)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-033PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1923)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-034LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2756)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-035TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-041TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0773)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-058PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.4119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-062TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2838)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LEU-017ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6346)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LEU-088TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-043THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-14.4048)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-065VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6023)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-068GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.1628)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-068GLU-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-106.4875)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008MET-158LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.3441)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-042LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-044ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-097VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8531)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-099HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.3435)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-101HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.8152)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PRO-183ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-13.2101)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008SER-032SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-5.5594)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008SER-093TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TRP-035PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.3730)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TRP-250PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.1545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TRP-252GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-20.0639)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TYR-052TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8499)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-039TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-041VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.3967)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-066LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2432)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-072SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.3769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-080PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3412)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ALA-084LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5821)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ALA-091ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2461)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-023GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-96.0417)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-031TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-11.9225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-092LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.4292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-103GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=5.1851)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-106ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-89.6215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-128ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.5542)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-128ARG-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=59.7255)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ASN-024ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=9.1388)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ASP-021LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.6087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009GLN-068ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0221)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009GLN-072ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.6081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-013TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-038LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4686)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-052PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-092LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8952)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-092LEU-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6096)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-105LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7859)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-108PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0141)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-155ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-013VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-033LEU-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5482)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-039ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6714)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-041VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-041VAL-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4291)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-055SER-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-058ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8576)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LYS-137LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.4934)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LYS-171VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8797)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009PRO-069TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TRP-111ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-11.3185)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-016GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=4.2421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-029THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-033ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.6610)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-035SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4269)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-050PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.4191)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-053TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.6694)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-111ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-23.1533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-121TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.8588)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-158ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.0520)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-301MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-303TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.6201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-021PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.9737)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-025ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-035ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6614)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-084ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-086TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ARG-039ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-100.9231)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ARG-042ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-90.7910)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ARG-092LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0428)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASN-014GLN-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-5.9093)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASN-023GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-23.4601)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASN-088TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.7968)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASP-090TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-25.4537)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLN-022MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.0518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLN-102TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.6385)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLU-014LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-68.0224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLU-032SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=10.0936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010HIE-015TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.2345)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010HIE-023ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9892)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010LEU-091ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0949)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010LEU-096TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010LEU-132ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9235)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010PHE-028ILE-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6051)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-022LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.3337)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-025VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2425)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-032ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5214)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-032PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.8647)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-034VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0667)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-052TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3351)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-058PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-081VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.5607)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-081VAL-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.5819)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-017GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=3.5081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-049PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.4528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-052TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.1621)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-163TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4300)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-027ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6794)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-028LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7139)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-034TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-040PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8452)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-044ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.3994)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ALA-016GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9376)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ASP-091ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-18.2668)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011CYS-042VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7382)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011CYS-042VAL-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8368)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011GLU-062TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=3.0014)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011GLU-100THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-8.8854)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011HIE-015ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=2.1371)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011HIE-304SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=1.1701)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011HIE-306ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.0770)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-017LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-018ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6019)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-024ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6686)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-024ILE-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5283)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-028LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2717)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-037LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.1427)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-038TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1118)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-042LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6378)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-045VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5661)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-062HIE-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9549)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-069TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9651)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-071GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1770)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-102TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-102TYR-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7756)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011PHE-044TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1520)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011PRO-020ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4370)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011SER-223GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-18.7931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011THR-017ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5077)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011THR-166GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.4513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011THR-166GLU-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-16.7823)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-018ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-8.1337)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-023ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-8.0390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-051GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-10.4991)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-102GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.8926)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-169ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3801)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-144PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-153LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5261)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-153LYS-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7210)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-155ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2281)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-055PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6803)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-059PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9895)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-108PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9789)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-139ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6307)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASN-048PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5096)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASP-024LYS-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-77.4926)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASP-026TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-7.5208)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASP-069TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=3.5829)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLN-034GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-7.0742)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLN-044TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3960)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLN-048TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7967)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-017GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0052)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-019THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-17.4647)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-068HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=12.2708)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-070TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-5.3358)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012HIE-015ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4313)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012HIE-033LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8942)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-016THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7653)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-018LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-028LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2725)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-044ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-046LYS-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.0445)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-046VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-024VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-027PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-033LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2952)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-035TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3339)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-039ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8034)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-047ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4690)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-057LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5156)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-062HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-064LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8514)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-065LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8016)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-070MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8309)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-074VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2051)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-083ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1953)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-085ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8625)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-088TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6651)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-026PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.9367)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-040PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5184)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-116PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4207)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-163ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7996)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-166CYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1749)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012SER-138SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.8365)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012SER-166PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7341)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012TYR-087PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.3364)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-016LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4127)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-023LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.3898)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-088PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1000)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-114PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-146PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9741)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ALA-096TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.4950)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ASN-149ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-7.6667)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ASP-016GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=62.9081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ASP-023ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-118.1195)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-039ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-91.7717)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-052ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-056GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-22.5357)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-065LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.4800)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-069ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-116.0447)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013HIE-032ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013HIE-095HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.6862)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013HIE-121TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-10.9913)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ILE-017LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8019)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ILE-105ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5027)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-017ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.3715)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-063ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-065PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.9878)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-066ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5747)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-069LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7223)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-077LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.3072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-082VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6136)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-084ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5943)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-036VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8360)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-060TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.2507)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-062LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5687)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-063PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7489)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-083ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0493)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-085ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8312)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PRO-032VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.1804)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PRO-034GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5880)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PRO-129THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0739)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013SER-047TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4704)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013THR-164GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.0369)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013TYR-075LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.9034)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013TYR-075LEU-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5527)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-016PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-066LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-154ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3229)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-154ASN-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2189)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ALA-055LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5664)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ARG-083THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=2.4877)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASN-027ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2053)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASN-061LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-24.9729)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASN-137TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.6380)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASP-017ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-81.0381)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLN-093VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4951)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLU-036LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-121.8869)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLU-069ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.6966)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLU-164TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-26.9522)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014HIE-043TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5592)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-025TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7957)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-027ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4025)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-081PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-085ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-088MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9921)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-061GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5511)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-070TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-163ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6726)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-174PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9664)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LYS-023GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-125.6061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014SER-017GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-16.0346)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014SER-084GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.9958)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-019GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.4305)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-021PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6661)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-022LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6073)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-022LYS-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.9746)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-082PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.8526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014VAL-091ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ARG-020ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-100.1708)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ARG-164ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6540)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-019THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-5.0628)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-048GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-7.2551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-069ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.1836)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-149PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015CYS-057LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1990)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015GLU-019LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-106.9181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-019PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-023LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4537)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-030LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9483)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-034LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4590)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-035ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7849)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-136HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7554)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-035TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9508)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-038LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-080PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-084TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3562)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-102SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.2232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-047TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7287)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-047TYR-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-13.4676)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-220ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-107.9704)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-223GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.5039)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015MET-023LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9652)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015MET-023LEU-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9509)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015PHE-039ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9074)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015PHE-044LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5432)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015SER-018THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.1979)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015SER-037LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-019ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7029)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-021MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-060HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-8.9079)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-061GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-5.4915)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015TRP-025THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1910)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015TRP-096TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.9451)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015TYR-034ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.0069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015VAL-060TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0587)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ARG-047PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.3233)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLN-048ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLN-098LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5024)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLN-101GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.2823)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLU-035TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.9315)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ILE-021VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2690)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ILE-145LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4947)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ILE-219PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8679)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-036LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2961)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-046ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.3319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-062LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-065LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6811)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-072PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-082SER-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.3151)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-137ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7172)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-141MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8358)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LYS-085GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-106.2629)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-034VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8574)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-036VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7811)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-132ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9160)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-176PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.8065)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-192LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.1918)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016SER-031ASN-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-5.4269)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016THR-022MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2220)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016TYR-079ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6697)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-033THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.3642)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-055PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-059PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4713)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-084ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4590)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ARG-056HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-8.7433)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASN-021LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-19.9155)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASN-029ASN-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-6.7891)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASP-049ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-77.1385)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASP-060HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-7.8868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLN-024ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-8.2556)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLN-093VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.2091)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLN-094ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-25.3117)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLU-036TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.5647)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLU-072PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.8874)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017HIE-033ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-20.1863)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017HIE-035TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-5.9507)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-021LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3572)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-028LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-028LEU-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.3924)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-030PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9230)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-055HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.0528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-149PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.6055)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-050ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4609)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-056PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6600)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-066LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.2301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-083ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7415)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017MET-020LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4706)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-022SER-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.2507)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-025TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-077ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-7.6130)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-081PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.5373)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-084LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017THR-078GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-14.6972)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017THR-307TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8398)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017VAL-049LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7207)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ALA-023VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4488)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ALA-026GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.9249)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ALA-027VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4351)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ARG-057THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6064)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ASN-227ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0992)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ASP-032THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-20.0656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ASP-034ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.2900)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018CYS-132HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.9316)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018GLU-074ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.0175)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-022GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3495)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-052VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5414)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-055ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4435)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-055PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1094)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018LEU-039ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=1.5466)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018LYS-024TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.5628)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-060HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7911)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-085GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5794)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-086VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2272)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-139LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8686)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018SER-024LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.3558)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018SER-040GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-18.1636)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018THR-035ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5899)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018VAL-034ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7379)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018VAL-164TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6490)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018VAL-166ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8159)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ALA-055HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5589)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ALA-058TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ARG-027ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=59.8904)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ASN-053VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0927)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019GLN-026GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.1281)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019GLU-022LYS-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0426)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019GLU-025THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-17.4109)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ILE-051VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-037ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6191)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-041VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9457)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-061ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6766)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-062LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8977)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-062LEU-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9986)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LYS-027VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6615)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LYS-031HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6357)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LYS-071GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-117.3314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019PHE-049LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8251)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019SER-023ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.0876)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019SER-023ARG-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-6.0997)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019SER-026ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-14.5393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019THR-022MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4101)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019THR-035GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9917)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019THR-035GLU-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.8374)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019TYR-050TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.7415)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-027ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7687)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-058VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.1541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-075LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-081LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5433)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-137ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.3892)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-138VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.0900)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-138VAL-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ASN-039LYS-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-25.5895)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ASN-040LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-24.3992)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ASP-082LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-79.9946)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020GLN-036TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.9814)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020GLN-059ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.3166)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020HIE-062ASP-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=10.2708)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020HIE-068LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.3252)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-023VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4036)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-032THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6986)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-082ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5079)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-309ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.3972)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LEU-024VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0144)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LEU-038ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.3480)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LEU-042VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.9948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LYS-040GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-122.1731)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PHE-135PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.3416)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PHE-149LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1291)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-023ARG-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.8956)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-177PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-178LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8845)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-181ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2829)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020SER-058VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2024)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020SER-091ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6414)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020VAL-029TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ALA-039TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8361)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ALA-057VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3674)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ALA-100ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2773)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ARG-033THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6923)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ARG-035GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.5271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ARG-035GLU-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-91.8564)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021GLN-024LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-22.8958)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021GLN-024LYS-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021GLN-057TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.9897)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021HIE-061PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.2408)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-031HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5908)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-036VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6306)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-038VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2099)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-041PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-077LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.1184)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-088ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021LYS-032TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-11.5869)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021LYS-039ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7991)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021MET-058TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.8687)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021MET-062GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021MET-069ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-025GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.2382)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-038VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7080)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-054ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8876)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-060PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.9138)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-072PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.8093)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-072THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8559)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-076VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2500)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-079ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1639)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-082PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.7994)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-097LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7248)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-097LEU-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-113ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2026)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-131VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0389)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-251HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.1574)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-260ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021SER-142ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.9401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021THR-148GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2129)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021THR-150LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021TYR-088PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.5133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ARG-072GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-106.2979)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ARG-073GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-88.1416)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-028GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=2.5004)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-046MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.9797)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-055ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=8.5144)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-058GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.9383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-147TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-5.6400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ILE-072HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1476)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ILE-074ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=1.5212)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-057THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8838)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-058PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3472)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-062ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7674)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-065LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6641)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-081LYS-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LYS-086ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8572)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022MET-041VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-027ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1418)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-031ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5451)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-039TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.9308)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-040ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5968)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-041PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7864)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-064VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0666)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-069VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-069VAL-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6174)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-099ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9014)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-166ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2557)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-168TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.7713)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022SER-121LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-026THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-039TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.1752)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-040TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.4273)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-043ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-055LEU-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.1206)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-059VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022VAL-067LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022VAL-079TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9831)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022VAL-079TYR-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2288)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ASP-027ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-106.2244)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ASP-042ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-121.2297)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ASP-057ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-115.7152)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLN-177PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.0129)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLN-217THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-6.3600)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLU-028LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.2766)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLU-046LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-110.5652)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ILE-060PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6636)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-035PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9911)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-035PHE-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9554)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-036ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0615)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-055ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5150)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-097LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-029GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-80.3501)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-029GLU-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.4541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-064TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-7.7105)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-064TYR-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4914)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023MET-038ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0178)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023SER-051ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=1.5236)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023THR-085ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.3856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023TYR-026LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023TYR-031TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.6337)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023VAL-041ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2501)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023VAL-055LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ALA-034ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.3930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ARG-073ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-16.4204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ARG-076GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-109.4695)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-027ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-25.0919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-027LEU-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.3791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-029ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8137)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-034TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.2933)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-056PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.0979)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-058TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.7480)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASP-065HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-26.8050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024CYS-100ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.7032)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-040HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-25.2825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-041LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0378)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-050ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.6069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-054ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-105.4356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ILE-055TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-028GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6807)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-028GLU-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.4528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-029GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.0696)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-031LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1451)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-032VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5572)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-054VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6255)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-260ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2876)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-261ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3231)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LYS-057TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1547)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LYS-069TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.2414)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LYS-069TYR-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-9.5585)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-089LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2245)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-089THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5419)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-099TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.1579)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-100SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0623)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-130LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5112)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024SER-038THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=3.8775)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024THR-041GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.9737)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-032HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2493)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-049ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6105)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-054PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0146)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-079PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.2251)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-142VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5252)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-143GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3944)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ALA-035TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9102)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ALA-037ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8036)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ASN-181ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-7.5948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ASN-183THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-5.8851)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-029LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3748)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-036THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=1.0378)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-039TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.3756)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-260ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-274ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0532)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-028VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6126)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-036VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6286)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-056LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.3812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-059ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.0698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-084ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.0770)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-084ILE-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4544)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-090ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5858)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-091VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-055VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-060PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8884)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-075ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8098)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-075ILE-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5619)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025SER-035ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.3843)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025SER-075ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=4.1466)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025SER-100ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4054)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025THR-045THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.6990)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025THR-100TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3807)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025THR-103LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-17.2876)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-038MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-135ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1752)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-144LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0103)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-146PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.5750)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-152GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-21.9718)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TYR-080ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.6150)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TYR-081PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.0781)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TYR-084LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6114)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-029TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9063)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-057VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6735)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-069ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8657)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-083GLU-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-185ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASN-054ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-7.6747)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASN-055ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASN-058GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-15.7522)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASP-042PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3361)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASP-077PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.6393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLN-065HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9214)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLN-065HIE-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0689)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLU-042HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=13.2394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLU-057TYR-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-25.0715)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLU-059ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-99.3406)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ILE-037TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1738)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ILE-078ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4228)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-037PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7009)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-039ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9280)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-040GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.0143)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-041VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2038)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-135ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-029PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.5887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-099ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-103HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.0558)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-168TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5004)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-030TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.9870)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-036PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-118ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2616)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-217THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.3946)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026THR-031LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4857)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026TYR-062ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0377)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026TYR-069TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.8642)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026VAL-041GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.4907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026VAL-041GLU-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.2212)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ALA-074LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9068)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ALA-102ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3883)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ARG-049GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-96.8482)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ARG-055THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.3629)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ARG-094ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-97.5113)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ILE-039THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6953)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ILE-046PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ILE-075LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5520)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027LYS-089LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8307)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-030ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5317)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-057VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.1147)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-069SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.1155)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-071VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0121)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-078GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.6539)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PRO-032MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0997)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027SER-034ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7457)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027THR-036SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-5.6317)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-070TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.5595)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-085ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5612)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-086TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4830)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-088ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.0954)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-090THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5220)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ALA-038VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2647)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ALA-041VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.3558)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ARG-031GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-17.6795)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028GLU-072HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-24.8251)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028GLU-097LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-114.4135)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-036LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5556)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-091VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6177)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-106VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.6559)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-151VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-037VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8296)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-055LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.3262)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-058ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-059ARG-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8982)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-061GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1223)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-133PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LYS-067TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.6872)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LYS-317ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-21.3162)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028MET-031ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.1000)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028MET-037ARG-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9083)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028MET-040HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.5805)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028PRO-058LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8647)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028PRO-111LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1493)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028SER-055THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.8337)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028SER-056GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.8222)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-031THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=2.1128)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-036MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=1.3868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-038VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7312)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-058PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.4369)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-085GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6265)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-086ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.3695)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-105PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8060)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-128PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.3858)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-170LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.0368)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ALA-274ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7389)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ASN-034LYS-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-27.3604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ASN-179SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.1598)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ASP-070ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=81.9671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029GLN-033ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=5.1879)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029GLU-045LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.4088)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029GLU-055SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-18.9718)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-034VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5830)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-036PHE-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.1733)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-040GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-045GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-095TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5152)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LYS-035GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.7491)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-094LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0455)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-101TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-103HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5117)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-168TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.1923)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-177ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2706)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PRO-085GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-10.8486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029THR-121TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6589)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029THR-121TYR-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.6496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-302SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-305ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.7376)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-308ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-8.8291)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-315PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.0618)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TYR-049GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.4014)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029VAL-036VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029VAL-054LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.3613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029VAL-087LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.1111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ALA-274ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9392)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ASP-320ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-101.4583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLN-034TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8290)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLN-034TRP-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.5710)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLN-036MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.2455)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-033GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-16.1563)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-034ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=67.4596)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-038PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2689)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-042PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-049PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-5.4608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-061LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-115.4220)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ILE-034LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6625)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ILE-055ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=1.1441)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ILE-093TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LEU-034LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6881)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-078TYR-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-7.2214)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-083GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-119.2898)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-085GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.7605)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-169THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-16.3727)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-042LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8739)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-044ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-061GLU-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-151ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.7098)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PRO-057MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.3224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030SER-109GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-17.9776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030THR-121LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.8304)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-033THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6019)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-036PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.3604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-042GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-20.7089)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-046LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.9883)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-073PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1794)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-079LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5514)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-103PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.6332)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-171THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-176SER-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-5.8573)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-212GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-17.9219)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-213GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.9660)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-216SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-217THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1514)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030VAL-033VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.1542)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030VAL-044LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6360)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030VAL-050ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8934)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ALA-088VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ASP-034HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=20.1208)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-035LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0622)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-037SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-5.9925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-109LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-125LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0741)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-128GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-15.5816)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ILE-034ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6592)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ILE-097TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2220)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ILE-246ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2508)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-091LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4778)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-125LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6571)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-168LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7529)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-213GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.7591)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-060THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8901)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-061ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2031)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-062HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3739)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-076ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6143)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-092TRP-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.9462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-095TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.4690)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PRO-097VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4923)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031THR-085GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-17.2915)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031THR-128PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7195)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-060ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-23.4204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-164VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.9591)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-168GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.5708)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-168GLN-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.4183)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-171ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4130)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TYR-037PHE-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.0352)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TYR-048HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.4976)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TYR-051GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.5647)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-056PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9420)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-068LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0781)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-071VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7461)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-073VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6605)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-077ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2351)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032ASP-040HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.7734)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLN-116ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-21.3336)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLU-035ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-115.2219)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLU-169THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.4530)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLU-169THR-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-17.1753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032ILE-036GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8695)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032ILE-065LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.6834)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-080GLU-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-107.7817)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-083LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0022)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-091LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.7599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-091LEU-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6891)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032PHE-058ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.2979)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032PHE-081VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9375)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032PHE-095LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.1359)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032SER-057GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-16.4666)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032THR-093LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7758)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032THR-094LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032THR-128LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-062ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8859)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-073PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.1568)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-074VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9761)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-083ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-7.6742)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-042ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.3105)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-052VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3213)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-056HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9172)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-068LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5547)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-080ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.1812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-100VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.3696)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ARG-189PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.3150)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ARG-191LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9008)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ARG-191LEU-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.3533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ASP-276SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-17.6563)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ASP-279LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-122.3294)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ASP-279LYS-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.8005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033CYS-047TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.4228)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033GLN-092ASN-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-8.0653)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033GLU-036ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-117.1126)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033HIE-060MET-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.4377)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033HIE-062THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=4.4001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ILE-037ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.0063)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ILE-061VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7105)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-053VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8674)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-059ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-061PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0547)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-089ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7972)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033PHE-058PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1374)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033THR-100GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.1130)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-062HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.0040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-091ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-8.3522)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-094ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-094ILE-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4616)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033VAL-048ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9238)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033VAL-055VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4079)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033VAL-091ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7448)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ALA-133LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9815)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ALA-152GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.1332)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ARG-060TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-16.0773)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ARG-064LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.9331)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASN-076SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7311)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASN-078TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2185)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASP-037PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.9424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASP-061ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-82.2610)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034HIE-057HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3316)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ILE-037TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5186)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LEU-038TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3346)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LEU-044TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5635)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-068GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-108.8766)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-070TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1226)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-070TRP-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1029)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-086TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7477)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-086TYR-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-6.9590)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-045TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.8166)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-058CYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.0051)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-062HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9437)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-069MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.3162)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-072LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9849)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-100VAL-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.4994)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PRO-065ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9074)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PRO-075PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034SER-105LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6481)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TRP-037TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.0917)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-136ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2792)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-143MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.1305)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-148VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6833)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-277TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.5452)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-046LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5192)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-048PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7826)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-072VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4976)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-077LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.3876)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-111LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ALA-065LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9160)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ALA-067ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.0797)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ARG-041THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-13.3514)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ARG-042VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8635)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ASN-172GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-10.5149)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ASN-174TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2724)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ASP-046ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-98.9110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035CYS-038CYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=2.2374)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035CYS-154THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.6431)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035GLU-189PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5193)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035HIE-059ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1677)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035HIE-059ARG-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-6.1820)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035HIE-061ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.4151)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LEU-061PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LEU-085LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5436)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LYS-083TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.4137)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LYS-090GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-6.1139)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-047TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.4981)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-062THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.9521)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-097LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-111PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.2421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-128PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.6438)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035THR-112LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8403)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-045HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2972)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-058PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.1685)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-064ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9189)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-157VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5846)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-161LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-16.5029)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ARG-042GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-109.9974)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ARG-162GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-18.9897)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036CYS-039CYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.0169)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLN-040HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.2087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLN-105LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6121)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-039ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-119.0183)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-039LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-114.0893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-045LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2246)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-053VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6835)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-056ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-81.6453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036HIE-063LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.9136)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ILE-040THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.9192)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ILE-061ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8728)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ILE-063TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8461)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-039MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0293)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-041ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-046PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5836)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-046PHE-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-047TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.1216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-098ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6618)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036MET-049LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.1965)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036MET-054VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=2.9734)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036PHE-075SER-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.3388)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036PHE-113ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-5.2852)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036PHE-303TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036SER-069THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2882)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036THR-090GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-19.5026)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036THR-104MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0121)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036THR-133PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036TRP-047PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1716)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036TRP-049PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.1146)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036VAL-060TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5076)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036VAL-070TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.3487)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036VAL-086TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9404)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ALA-056ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ARG-152GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-119.4118)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASN-040THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=3.0492)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASN-067GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-6.1900)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASP-040ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-79.6700)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASP-064TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-18.5453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037HIE-050GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-24.2819)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-116PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8482)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-125LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9439)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-162PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7183)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-165VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4565)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037LYS-162PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0974)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037PHE-048HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8407)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037SER-043ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-6.3197)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037THR-053ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.4952)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037THR-085LYS-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.6379)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-050ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.6175)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-053LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-055LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-14.9686)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-055LYS-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-046THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-050LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.8851)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-066LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-068VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0555)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ASN-199LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5724)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ASN-202PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.2181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038CYS-095PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3195)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038GLN-042ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-21.7778)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ILE-085ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6726)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ILE-094LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.0084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-045PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8834)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-047TYR-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6235)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-054LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5976)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-109SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7398)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-109VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2555)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LYS-047PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.3440)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038MET-041LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5522)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038MET-146PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.5744)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-042PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.2169)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-042VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.1155)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-046ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.3029)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-049PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-061VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8300)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-061VAL-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-101PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1131)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PRO-108ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.9680)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038THR-053PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9408)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-063TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.7395)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-065PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.9381)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-068TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.2981)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-073ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-078ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-081TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.9233)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-082ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-132ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2685)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TYR-060TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.8465)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-041VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2942)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-072PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8561)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-082PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8734)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-083ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2822)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ALA-095PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.3510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ARG-043ASN-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=4.9818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASN-042ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-22.1199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASN-081SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8244)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASN-083TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0505)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASP-057THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-17.4515)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039GLN-047ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-16.3328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039HIE-057HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=8.7110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-054LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1159)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-055TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1574)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-108ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9249)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-109CYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=2.0612)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039LYS-043HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1265)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039PRO-165PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.3999)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039PRO-166ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6891)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039PRO-199LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.3687)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039SER-054GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-17.8958)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039SER-067GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-19.3229)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-046THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-5.3474)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-077LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.3724)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-079LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-083VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-052SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.0792)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-064VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2272)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-066LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.0193)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-066LEU-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.2591)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TYR-043ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.8011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039VAL-083TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.1331)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASN-073PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.9486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASN-077TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.6166)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASN-090ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-10.6908)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASP-065THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=2.0818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040GLU-045GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-18.9425)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040HIE-103HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-10.1245)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040HIE-105LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.0437)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ILE-054VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4933)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ILE-057LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7003)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040LEU-063TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1189)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040MET-085ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.4765)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040PHE-052TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.4447)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040PHE-116PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.2739)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040PHE-133PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.8367)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-044TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4402)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-048VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8741)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-162GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7346)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-186TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-270TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-052GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.4282)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-055LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-121ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.4082)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-121ILE-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6479)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-122THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.4645)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-045TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.7205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-055VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-076VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2840)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-079ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6701)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-082PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2131)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040VAL-063VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4374)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ALA-047TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.5141)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ALA-081GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ALA-121ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ARG-051PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.6724)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ASP-084ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-92.8505)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041GLU-045LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-108.0394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-058ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.0222)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-061PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7946)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-107PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-107PHE-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4396)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-146PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7095)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-155PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9587)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-162PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.0776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-170TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LYS-045GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5808)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LYS-107PHE-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.5023)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LYS-110SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-19.2286)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-047SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7492)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-054HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.6449)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-073ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7297)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-077LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9508)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-094LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-6.7677)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-094LYS-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.3903)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-104VAL-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.9214)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041VAL-059LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8333)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041VAL-064LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.3030)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ALA-082ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2655)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ASP-045THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-19.7405)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-095PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-5.2713)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-101PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.4389)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-103PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-6.7772)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-121ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.9346)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ILE-049PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ILE-052PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6493)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ILE-056PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.9664)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-047ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5379)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-048ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1365)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-048VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9798)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-103HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-105LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5579)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LYS-049GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-123.7726)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-049PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3943)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-054PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.1541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-056SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1934)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-061LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7036)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-064LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3127)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-074LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.2755)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-077PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7384)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-085PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7125)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-087LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2901)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-088ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.6998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-089ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2568)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-089MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.9611)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-092TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.7675)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-101VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0332)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042SER-058ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3378)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042SER-062ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=3.7570)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042THR-052ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.6555)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042TRP-049ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-12.6317)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ALA-073PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5679)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ALA-077TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4164)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ASP-054HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-25.4559)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ASP-058ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-119.7199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ASP-062TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.1234)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043GLU-104ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.2770)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ILE-055LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.0581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-050PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8772)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-055THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5991)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-071PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8797)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-114SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-161TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.2074)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043MET-048ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5663)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043MET-060VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043PHE-065PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7506)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043PHE-068TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.0913)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043PHE-073PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043THR-059LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5527)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-048GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.7249)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-049THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2628)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-068LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.3401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-185HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.8640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-186TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.5437)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043VAL-066LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.3572)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043VAL-069VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7667)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ALA-052ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1161)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ASN-048THR-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-5.7069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ASN-059THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.3744)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044GLN-061LYS-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-28.4637)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044GLU-084ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-95.2293)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044HIE-067HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.8996)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044HIE-073TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.7114)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044HIE-086GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-25.5631)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ILE-101HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-079VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-101ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5732)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-272GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.2006)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-272GLN-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0509)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044MET-061VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044PHE-048LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2830)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044PHE-130VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.1532)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044PRO-053ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.7978)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044SER-093ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-14.3853)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044SER-118ARG-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-10.8568)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044THR-118TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3286)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TRP-048TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.6802)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TRP-085PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.1806)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TRP-147TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5086)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-048LYS-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-16.0700)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-059ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2900)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-077LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6735)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-109LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5147)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044VAL-174MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5733)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045ALA-054HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7989)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045ALA-071HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.3300)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045ASP-081GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=89.3779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045GLN-062LYS-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-24.6164)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045HIE-051GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-23.6802)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045HIE-053ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.2194)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-049GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.1951)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-049TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.0437)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-054PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-055ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.8898)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-070PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1722)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-097LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9402)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LYS-048GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.7218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LYS-084GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-72.3334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-057GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-7.7554)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-061VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6166)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-066PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.9454)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-075LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-10.1969)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PRO-080VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5561)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PRO-100VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-048ALA-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6715)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-066VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5437)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-097SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4822)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-168LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2248)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-048ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9782)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-049ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1669)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-100VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9863)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-272GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.8333)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TYR-053THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.1649)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-050ASP-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-95.6775)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-092TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.7802)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-182GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-77.0114)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-273GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-114.7292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ASP-083ASP-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=55.3063)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ILE-071GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7723)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ILE-074LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=9.9596)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046LEU-068ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5102)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046LEU-103PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1115)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-050LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.9921)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-084LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.9536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-088MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.9237)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-107PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.8534)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-119GLN-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0568)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-121LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8616)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-161TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.3540)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PRO-140ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5747)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PRO-141ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9527)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046SER-054PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.4526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046SER-088ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-6.0809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046THR-069ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.2243)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046VAL-094PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9620)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ARG-050GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-82.1408)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ARG-059MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5114)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ASN-062LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8172)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ASN-276PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2244)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ILE-064LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4741)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047LEU-055LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4036)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047LYS-059ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-114.5176)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047PRO-164TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.9984)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047SER-065PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1678)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TRP-081GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-9.4185)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TRP-083TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.0860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-052PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2252)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-053ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=1.4769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-055ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1900)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-058TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.2435)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-075ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.0180)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-077HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-111PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-136TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=2.6855)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ARG-060MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7242)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ASN-052ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.8811)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ASP-081THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-19.7496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ASP-131LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-115.6989)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048GLN-070SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0959)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-052PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5095)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-091ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-6.3341)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-099HIE-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.0651)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-174MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.9110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-178ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-26.6746)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ILE-052ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1150)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ILE-272GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ILE-279ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0829)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-070PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-070PHE-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1558)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-074TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-074TYR-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-077GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7514)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-141PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4161)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LYS-082ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9309)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LYS-098GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-110.6660)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048PHE-058PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.9339)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048PHE-101LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7741)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048PHE-105TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8312)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048VAL-093THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2918)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048VAL-095LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6721)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048VAL-099ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ALA-092TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3389)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ARG-167GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-21.0949)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049GLU-080ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-92.7805)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ILE-059ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.4425)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ILE-070PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0650)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ILE-100VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7398)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LEU-054VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5239)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LEU-107PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LYS-121LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9379)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LYS-158ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-6.7186)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-056PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7332)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-057GLN-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.3941)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-091ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2262)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-093VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.9453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PRO-052TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0968)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049THR-053LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049TYR-054PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4378)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049TYR-098GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=3.5305)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049TYR-102ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.5272)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-053THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-124GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7762)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-127LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3537)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-131VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7411)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ALA-081PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1062)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ARG-054THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-12.2235)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASN-083TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASP-053THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-19.0401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASP-067PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.6833)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASP-092TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-24.2478)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050GLN-055TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-5.8708)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050HIE-065PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.3716)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050HIE-087TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-10.8742)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ILE-053ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7175)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ILE-071PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ILE-079VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050LYS-056GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-112.2269)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PHE-071PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5917)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PRO-053TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6835)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PRO-058PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.9427)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PRO-096TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.0866)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050SER-066PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2289)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050THR-143THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.3345)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050TRP-054GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-6.7627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050VAL-054THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=1.5466)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051CYS-154LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-8.0099)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051CYS-156THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=1.7143)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLN-089GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-5.5242)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLN-089GLU-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-24.9278)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLN-098TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.5412)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLU-056MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4704)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLU-056MET-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.4034)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051HIE-277ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-24.0722)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051ILE-068LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1712)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-055ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.0008)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-080ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.0047)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-096TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.9850)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-131LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0917)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-058VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4961)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-091ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-5.7444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-091ARG-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.0140)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-175PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3543)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051THR-152PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3073)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-093VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6148)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-095LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7560)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-097ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-7.4846)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-097ARG-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.4651)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-107PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.3308)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051VAL-071ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7757)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051VAL-104ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5764)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ASN-061ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-7.1437)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ASN-143THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=1.6552)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052GLN-069ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-10.1150)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052GLN-117PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1752)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ILE-056GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3096)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ILE-087VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.0009)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ILE-100VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.3157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-060LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5635)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-062PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6736)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-062PHE-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6740)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-070PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9515)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-141PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4837)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-152PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8183)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-056MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.0777)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-061CYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3794)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-071PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3920)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-073THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4191)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-075ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-111PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3885)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-141MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.5144)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-148ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1027)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-157ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4013)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PRO-109LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7554)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052SER-063PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2029)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052TYR-058PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8135)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052TYR-061ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-24.8809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052TYR-116PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.9807)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052VAL-057SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.3755)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ASN-063SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.4419)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ASN-131VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ASP-058TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-066LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2137)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-069PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3202)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-075LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2674)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-077LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8031)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053LEU-057PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053LEU-091ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053MET-140ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-6.0970)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053SER-089GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-19.8821)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-059LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6184)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-083ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-25.5370)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-092TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.6287)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-094LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.1177)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-142ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4564)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-169MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.8199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-057ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.3763)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-068PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6044)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-074ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-117PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054ASN-069PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.7662)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054ASN-141ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=1.8731)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054GLU-057ARG-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-94.2944)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054GLU-058ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-118.2387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054GLU-141GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-13.3532)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054ILE-074ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.1258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-061LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0060)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-063PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5795)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-069VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4874)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-091LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-091LEU-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.2123)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054PHE-101ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8267)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054THR-057ASP-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=1.0308)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054VAL-091ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2837)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054VAL-097ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5614)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASN-058GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-5.3957)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASN-058TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-069ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-118.3015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-104LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-86.6836)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-105TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-10.5719)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-185ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-112.4535)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055GLN-272GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=5.9090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055GLU-121LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1704)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-059ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-061CYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9498)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-151THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-155ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.9905)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055LEU-060VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8593)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055PHE-139ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055PHE-141GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7824)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055PHE-141GLN-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.9812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055SER-071PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055SER-152PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.9983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055THR-072THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.2362)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055VAL-059ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6661)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ALA-061VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5905)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ALA-175PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9184)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ARG-061LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4933)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056HIE-287LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1303)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056HIE-287LEU-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4508)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ILE-059PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4853)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ILE-059PHE-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4423)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056LEU-069LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056LYS-160ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-109.9776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056MET-059MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6399)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056MET-181ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0364)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056PHE-062PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5439)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056PHE-129PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.0437)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056PHE-152PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3643)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056SER-076LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6189)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056TYR-062TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.9566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056TYR-064VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2810)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056TYR-084ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.1261)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057ARG-067VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6114)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057GLU-061ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-88.8819)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057MET-060MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3263)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-060LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3949)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-066ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4023)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-098VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8261)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-116PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2869)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-163ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PRO-063TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7327)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057TYR-091LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.8937)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057VAL-084ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.6382)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057VAL-084ASP-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.3760)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057VAL-181ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3186)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ARG-062LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0354)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ARG-141GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-10.3433)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ASP-279LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-109.0884)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058GLN-067PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7915)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058GLN-067PHE-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1978)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058HIE-067GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8130)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058HIE-115GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.4189)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ILE-097TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.9865)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LEU-071VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9858)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LEU-084LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2577)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LEU-094GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9000)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LYS-122VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.4783)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-062ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0637)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-062TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.8241)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-070TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.2327)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-081PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.4961)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-101ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.3303)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-131VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6737)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TRP-084SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.6622)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TRP-180SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2621)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-062GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1515)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-062GLN-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.6795)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-062LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-8.7605)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-066VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8651)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-068ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-077ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2793)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058VAL-085ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.3813)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ARG-065MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6884)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ARG-067GLN-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-23.5912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ASN-062LYS-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-27.7400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ILE-068ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8527)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ILE-094LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7063)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LEU-117VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LEU-117VAL-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4038)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LEU-119GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8122)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LYS-063ASP-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-116.5565)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LYS-075TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-7.4973)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LYS-135ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.6559)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-063ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.0333)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-118THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5458)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-120TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.9860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-127ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059THR-088TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1866)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059VAL-084LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059VAL-136TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6368)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060ALA-081LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8042)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060ASP-165ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=77.4966)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-068PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7816)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-095PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-095PHE-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0670)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-098VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5944)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-120VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2872)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-152PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2177)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060MET-070GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.4576)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060THR-087LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-18.0831)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060THR-176ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-12.9954)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060TYR-064LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060TYR-128PRO-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060VAL-063TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3127)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060VAL-157PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9879)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ALA-080ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.3125)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ARG-083GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.7526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ARG-083GLU-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-91.8949)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ARG-084LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6278)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ASN-065ASN-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-5.0525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ASP-065LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-6.8083)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-080ARG-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-78.2795)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-088PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-5.2769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-142MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-8.2471)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-145LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8899)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-064PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0281)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-086ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-089MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5074)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-091ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.1845)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-092TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4896)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-098LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9053)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-155ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.8273)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061LEU-065MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6916)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061LEU-079ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5131)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-068VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7489)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-086VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3194)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-086VAL-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8788)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-099ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.6241)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-117VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PRO-088PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5359)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061THR-081THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4705)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061THR-083GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-16.2015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061TYR-066LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.4232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061VAL-064TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061VAL-066VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.1277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061VAL-068ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ALA-070MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4705)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ASP-080ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-86.9444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-110GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-6.8631)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-112PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5972)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-171PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=1.5156)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-173TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.8144)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-173TYR-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.9613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-070GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-8.0709)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-072LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0787)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-073TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=3.7784)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-076ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8862)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-067ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4297)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-069TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.3601)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-105TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6239)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-107PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9616)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LEU-075ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4502)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LEU-077ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8477)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LEU-079LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LYS-067PHE-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.0731)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LYS-147GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.5987)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062PHE-120TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.0500)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062PHE-128PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2195)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062THR-099ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-10.0895)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062THR-102HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4747)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TRP-073ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.0066)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TRP-164PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.5662)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TRP-166PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3763)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-077PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.5291)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-083GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-22.6091)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-084ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2668)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-093ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6560)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-095TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.4788)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063ASN-081THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.4457)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063GLN-067ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=12.4032)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063GLN-136TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.7972)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063GLN-165ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-10.0365)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063ILE-077LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4448)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063LEU-068HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5986)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063LEU-108LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7073)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063LEU-140LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.3566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-090GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9304)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-090GLN-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1589)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-091ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0655)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-094VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063THR-092TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6995)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-081TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.9319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-085MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.6377)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-098LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5438)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-136PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6755)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063VAL-067LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6208)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063VAL-154THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6932)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064GLU-111TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7070)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-072PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5409)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-084TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.1995)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-084TYR-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.3838)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-090TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2854)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064PHE-097PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4529)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064PHE-123THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1622)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064PHE-125TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.2500)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064SER-171PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=1.3249)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064THR-116PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9403)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-068LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-5.3570)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-078PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.6785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-082VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3280)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-083LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-164PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.9329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064VAL-073ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2804)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064VAL-143GLN-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.0344)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065ALA-070PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8665)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065ASN-110GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.5469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065ASP-110GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-5.4178)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065GLN-088TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4251)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065LEU-077VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7443)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065LEU-080VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2058)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065MET-117PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.4494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065PHE-095LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8255)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065PRO-101LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7137)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065PRO-111TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.1869)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065SER-068TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.2549)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065SER-108TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.1539)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065THR-069ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6909)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065THR-082LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065TRP-146THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1969)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065TRP-154THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7392)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065TYR-090PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.1266)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ALA-084ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4720)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ALA-136TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ARG-167GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-118.5315)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ASP-069ARG-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-93.5497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066GLN-070ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.9834)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066HIE-069GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.8663)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ILE-146VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7890)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066LEU-073PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066LEU-138THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6051)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066PHE-075LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9101)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066PHE-109SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.3732)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066PRO-095TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.6043)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066TRP-109TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066TRP-110PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.0573)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066VAL-085ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.0118)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067ARG-077ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.0374)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067ASP-070ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.5344)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067GLN-115GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-6.0670)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067GLN-117PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.7547)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067GLU-139TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.0493)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067HIE-070HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.9159)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067HIE-086GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.6196)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067LEU-078LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8653)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067LEU-107LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8230)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067LEU-109VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6151)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067PRO-095TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.7899)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067PRO-101ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7382)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067SER-073TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067THR-080TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1727)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067THR-082VAL-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0348)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067VAL-085ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=1.5131)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ARG-072THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-12.5720)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068HIE-075LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-10.7583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068HIE-080GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=1.3940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068HIE-123ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-25.9847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ILE-072LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.3364)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ILE-084TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.0130)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ILE-091LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068LEU-081VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6071)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068LEU-146PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068MET-131LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.0938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-076LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.1497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-076LEU-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3514)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-077ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6824)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-077VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9259)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-080LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9967)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-080VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1068)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-083LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9572)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-110LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8905)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068TYR-073ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0650)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068TYR-078ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.4783)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068TYR-082HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8113)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069ARG-075ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.1499)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069ASN-119VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-076ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1004)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-076ILE-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-6.7043)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-078ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-117.4814)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-123ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=61.4275)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069HIE-075ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8280)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069HIE-078PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.2528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069ILE-101ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.2931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069PHE-078GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-6.0925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069PHE-080TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.4177)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069PHE-166TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=1.4656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069THR-080LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6282)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-073TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.8412)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-086GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2323)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-086ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7097)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-114VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5601)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070ASN-080GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=7.4268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070ASP-076THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-15.3211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070GLU-073LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.1865)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070GLU-073LYS-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-92.7346)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070MET-075ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2045)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070PHE-120TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.7471)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070SER-082VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9441)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070THR-120ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=5.3523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070THR-124THR-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.8103)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070TRP-084VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1073)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070TRP-138LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.5608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070TRP-174PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.4522)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071ASP-074LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.1199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071LYS-195ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.4232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-080ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-080LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-086ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6679)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-108ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-114SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4274)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071SER-082HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-5.7322)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-076LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-078GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.9239)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-099TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-6.5875)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-100SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.0069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-125PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.2927)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-165ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.3599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-166TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.3288)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-077ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4816)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-083ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5728)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-085ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4585)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-119VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.0736)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ARG-116ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-93.9167)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ARG-118TYR-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-6.1235)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ASN-075ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-18.6768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072HIE-093TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.1201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072HIE-095PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.2142)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-077PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-082HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-116PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-116PHE-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6560)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072THR-175GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9738)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072TYR-076ARG-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4974)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072TYR-127ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6036)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072VAL-176PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7834)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ARG-076LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.4354)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ARG-119ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-102.9054)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ARG-163ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6121)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ASP-135ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-111.2018)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ASP-193VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.4785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073GLU-077ASN-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.2805)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073GLU-119SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-19.1914)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ILE-128ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1398)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073LEU-120TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073PHE-077TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.7215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073PHE-079LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8274)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073SER-090SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6473)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073SER-178SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4202)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073TRP-089TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.4659)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073VAL-111ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1425)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ALA-083TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9896)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-130TYR-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4346)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-135SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4137)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-135SER-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-12.5435)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-136GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.7463)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-147TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-147TYR-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-6.1320)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074GLN-094ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-5.8912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074GLU-096ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-61.4917)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LEU-079TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2331)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LEU-102PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4339)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LEU-107PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.5022)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LYS-127ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7237)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074PHE-080LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.4295)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074PHE-083HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.9233)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074SER-091PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074SER-111GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-20.8527)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074VAL-080TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.5122)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074VAL-083ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9251)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074VAL-190LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4910)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075GLU-079GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-12.7068)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075GLU-079GLU-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=75.7472)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075ILE-080ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8293)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075ILE-112LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5415)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075LEU-094ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6362)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075LEU-111LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4094)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075LEU-111LEU-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4489)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075PHE-093PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7690)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075PHE-182ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.2776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075PHE-184PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3408)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075SER-078TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075SER-111ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-17.1215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075TRP-176ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.7007)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-079GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-96.9065)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-120TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.7968)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-208TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-208TYR-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-6.0862)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-084LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0159)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-089TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-25.9662)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-091PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4433)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-188GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-20.5633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076GLU-170LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.8669)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ILE-094ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4916)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076LEU-086MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2580)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076LEU-117ILE-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.1324)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076LEU-123THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5642)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076PRO-111TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0274)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076PRO-112LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.1385)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076SER-082PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5699)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076THR-090SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-5.4848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-125ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.4650)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-125ILE-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3678)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-136TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8883)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-139ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.2442)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-143TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-5.3191)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ALA-096ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2572)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ALA-138ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ALA-138ARG-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2579)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ASP-080ARG-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-85.4176)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077HIE-111LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0831)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-102PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9955)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-112ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-125VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2018)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-128TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-128TYR-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5736)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077LEU-093VAL-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2100)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077LYS-178VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.6370)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077LYS-186ASN-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-19.5391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-089PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.5852)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-093ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.0031)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-097LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5946)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-116PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-160VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8151)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-162PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-201ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-6.5159)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-205GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-8.8129)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078ALA-126VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6116)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078ASP-157LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-104.3430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLN-085LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4858)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLN-088GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-20.9220)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLU-099THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.2514)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLU-127GLN-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-23.6366)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078HIE-081PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078LEU-108VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.1374)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-082VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2298)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-096ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0885)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-104TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.5390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-107ALA-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0080)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-108LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1903)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-179LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.1324)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-215ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0874)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-218LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8926)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-218LEU-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.1110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PRO-115PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6083)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PRO-186ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.6800)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078SER-184PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.8075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078TYR-082PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.9922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ARG-083ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-98.0644)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ARG-182ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-110.8406)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ASP-131HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-27.8237)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ASP-135ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.9681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079PHE-089PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079PHE-100THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.9067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079PHE-104LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4527)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079SER-088ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8448)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079SER-208TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4959)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079THR-089LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0870)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079THR-089LEU-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4797)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079THR-110THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-5.3929)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-084PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.5025)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-109VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8793)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-112LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-112LEU-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1257)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-146PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.5292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-153TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8103)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-167GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=1.4244)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079VAL-087LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.3945)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079VAL-094ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4198)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ARG-088PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-5.0033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ARG-090ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.4131)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ASP-087LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-112.5047)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080GLU-092ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.2899)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080GLU-155ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-119.4860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ILE-112LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5890)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080PHE-085LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.1363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080PHE-098SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080PHE-166PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0097)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080THR-090ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.1576)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-088LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-090TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.1946)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-095ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.1366)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-108LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.5646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-136ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5375)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TYR-129TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.2090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TYR-172GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=1.2729)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ALA-088ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8867)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASN-084LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.9301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASN-085SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.3991)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASN-100TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-6.0805)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASP-092SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-18.9754)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLN-085ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-22.5160)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLU-101ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=5.6309)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLU-103GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6588)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLU-103GLN-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-13.9153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081HIE-202PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.0511)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ILE-085ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.7550)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081LYS-105VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.2898)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-106CYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=12.6369)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-134GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6175)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-134GLU-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-8.8938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-138ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-5.0493)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081SER-087PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5095)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081TYR-085ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.0897)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081TYR-130VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7115)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081VAL-105TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8602)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081VAL-149HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4083)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ARG-088PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.0413)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ARG-088PHE-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.6471)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-121LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-135ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9774)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-136PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-186VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0068)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082LEU-176PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8543)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082PHE-091ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.8212)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082PHE-102TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.9274)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082PHE-104VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-108LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-126SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-127PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.9343)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-130VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7167)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ASP-089HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-23.5209)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ASP-105TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=3.7726)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ASP-136ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-94.1543)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083GLU-094TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-7.4102)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083HIE-086GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-25.6153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083HIE-089ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-25.3652)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ILE-155ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7813)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ILE-173LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5530)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-087LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-088TYR-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6763)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-101GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0279)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-108VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5674)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083THR-086MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.6587)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083THR-087GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3436)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083TYR-087PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.1059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083TYR-094TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4023)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083TYR-096ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8563)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-087LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8652)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-094PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9395)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-094PHE-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8159)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-103TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6243)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-140TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0695)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-153PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2838)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ARG-089ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-87.7120)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASN-099LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4916)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASN-103TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-8.3397)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASP-087PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.5766)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASP-107ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-14.0130)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASP-126VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.5192)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084CYS-090LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-11.0926)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084LEU-090LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084PRO-122PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3392)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084PRO-135PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5419)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084THR-107PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.9939)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084THR-108TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8979)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084TYR-089ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.6758)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084TYR-095LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3884)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085ASN-099TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5125)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085HIE-094TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.8390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085HIE-101TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.9006)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085ILE-089ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5416)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085ILE-103LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4192)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-094PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-108LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5324)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-137ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2222)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-138LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8480)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LYS-088GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-111.7086)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LYS-094TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.3401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085MET-136PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1357)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085PRO-090LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9833)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085TRP-089ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.1118)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085TRP-135LYS-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-7.4638)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ALA-101GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8601)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ALA-104TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ALA-136PHE-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.2144)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-091ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-6.2718)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-092TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-6.5470)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-112TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-10.9939)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-115ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-112.1541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086HIE-089GLU-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=14.6040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086PRO-090ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5607)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086SER-136TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.4906)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086VAL-105LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7332)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086VAL-116VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7013)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087ALA-171PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.1249)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087ALA-173TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4495)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087ASN-091LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=3.3165)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087CYS-119ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=6.3031)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087CYS-121LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.3305)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087GLN-139ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-6.6227)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-095PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4803)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-095PHE-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2344)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-096TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1173)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-109VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-153PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087PHE-126VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7976)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087PHE-186VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5405)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087PHE-188VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0736)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087VAL-102LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.1157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088ASN-092ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2911)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088ILE-135LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.3177)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088ILE-135PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4789)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088LEU-108ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6514)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088PHE-092LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0071)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ARG-106ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-92.5470)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ARG-108TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-12.4137)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ARG-131VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.3898)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ASP-092PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-5.2771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ASP-112ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-13.9227)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ASP-131VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.5838)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089CYS-105LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5154)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089GLN-117PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.0630)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089GLN-125TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6345)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ILE-112TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7666)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089LEU-127VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1231)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089THR-098LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6339)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089THR-098LEU-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6853)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089TYR-094TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6246)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089TYR-153VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6614)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ALA-121PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8008)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ARG-187SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-8.1408)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090GLU-119ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-101.8127)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ILE-099LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7641)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ILE-107SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1813)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ILE-190VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4347)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090LYS-122ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-5.7674)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090LYS-122ASP-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.7604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090PRO-129TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6724)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090PRO-154VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-095ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-8.4843)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-095ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3782)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-099ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9436)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-105LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7961)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-112GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=5.9568)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-113ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.4149)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091ASN-096TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-7.1560)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-098SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.6465)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-118THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6718)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-118THR-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.6808)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-121LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.1039)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-122ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=11.3996)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-125HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1479)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-127VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9880)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091LYS-140SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9832)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091LYS-140SER-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-17.0380)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091THR-094HIE-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-6.7037)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091VAL-094ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2454)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092ALA-164GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7752)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092LEU-095HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6116)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PHE-099TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.5741)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PHE-120VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PHE-131VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PRO-102HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5760)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PRO-133LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0905)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092TRP-100GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=22.2753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092VAL-117PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ALA-099THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8177)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ALA-164ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.5450)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ASN-096LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7365)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ASP-097THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-22.0167)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093HIE-118GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.0220)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093HIE-120ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6570)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093PRO-184PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6138)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094HIE-099THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094HIE-104PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.8335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094ILE-114TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0348)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094LEU-132VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9263)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094LEU-182MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9062)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094LYS-112ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-122.3582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094PHE-098ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.0238)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094PHE-141ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7455)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094PRO-135MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8829)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094TYR-097THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094TYR-151VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094TYR-153VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8097)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094VAL-125TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094VAL-152LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094VAL-166PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5373)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ASN-164ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-23.3293)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ASP-102TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=4.8005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095GLN-098TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.0146)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095GLN-185THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0034)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095GLN-187ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-6.2385)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ILE-120TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7070)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ILE-120TRP-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9804)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ILE-144THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6196)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LEU-103ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5156)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LEU-130VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7173)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LEU-133LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7777)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LYS-107ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9851)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LYS-109THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-14.9625)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LYS-127ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-6.3028)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-099LYS-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.6487)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-118ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8272)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-154ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3187)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-160VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9814)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-160VAL-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5120)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095SER-114THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2339)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095THR-182ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=1.6529)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095TRP-099LEU-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5210)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095TRP-104VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095TYR-106TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.5368)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ASP-100ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-21.9154)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ASP-101GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-22.6969)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096GLU-121LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.2956)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-101GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.3569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-103SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-5.6974)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-126LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8636)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-127ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=12.1509)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-132VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4595)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ILE-127VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.3973)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ILE-127VAL-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.1868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096TRP-110LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0903)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096VAL-105LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.0377)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096VAL-108THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ALA-105LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6293)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ALA-117HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9921)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ASN-102TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.0000)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097GLU-101ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-103.5181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ILE-105THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097LEU-111PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097LEU-113ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=1.2949)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097LEU-128PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3206)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PHE-103ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.2979)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PHE-181TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.7468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PHE-183ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0299)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PRO-106ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6502)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TRP-145LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5493)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TRP-173TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.0291)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TRP-213ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TYR-101TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.8321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TYR-179LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.6443)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TYR-179LYS-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.7493)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097VAL-112TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8154)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098ILE-145ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6431)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-101VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0178)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-115SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-117ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5665)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-136PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-144VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5451)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-144VAL-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-146TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1295)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098PRO-101GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5326)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098PRO-102ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.1058)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098PRO-114PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-112PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.2441)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-127VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.0156)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-138TYR-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=2.5396)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-164ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-17.6415)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-101GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2030)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-105TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7449)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-152ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8103)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-286TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8487)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-287LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-102HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.4749)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-147VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8575)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-149ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6366)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-177ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-104.4243)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-216GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-87.6839)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099GLN-108GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.9661)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099GLN-148HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.4483)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ILE-103ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4475)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099LYS-104THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099MET-107ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9933)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099MET-126VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.0900)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099PRO-104TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.9013)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099PRO-164PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1351)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099PRO-166GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.0570)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099TRP-118PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099TRP-272GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-24.3343)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ALA-112PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6425)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ASN-113LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ILE-103HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8618)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ILE-104LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.9566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100LEU-130VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100LEU-134ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.3974)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100LEU-142LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5151)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100SER-119GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-20.7544)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100SER-131VAL-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1214)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100SER-148ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=2.1038)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100THR-104LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6481)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100TRP-103LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-11.5237)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100TRP-103LYS-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3624)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100VAL-283ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ALA-104ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2274)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ALA-128ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7253)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ALA-138TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5685)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ARG-142LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.1194)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ASN-125HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.3086)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ASP-145THR-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-18.9465)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ILE-110LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0279)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ILE-110PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6039)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ILE-123ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7558)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101LEU-111TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3741)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101LEU-125TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8341)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101LEU-132ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5969)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TRP-132VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TRP-135LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.7494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TRP-177ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9596)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TYR-151VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101VAL-106LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9678)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101VAL-132PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4717)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101VAL-132PHE-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3877)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ALA-114PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2096)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ASP-106SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.5790)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-109TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.8777)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-127GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8264)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-269HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.9253)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-270TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.0228)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-272GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-5.5712)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-110ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5723)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-145ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5872)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-149TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-149TYR-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.2612)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-153PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8112)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102SER-165LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-8.3561)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102SER-169ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-18.1722)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102VAL-133PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9555)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ASP-149TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-22.2896)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ASP-269HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-11.1734)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLN-108PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.8581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLU-106LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-113.3905)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLU-108TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-20.6060)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLU-177ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=81.4932)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103HIE-168TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-11.3084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ILE-110VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ILE-130VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6540)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ILE-132PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8049)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103PHE-122MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103PHE-127LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9088)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104ALA-125TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104MET-112ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0787)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104MET-133PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5338)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-107ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7560)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-129ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.3851)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-147LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5049)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-166GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-21.9604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-168LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-169PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2645)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-202PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.1687)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-205GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1854)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104VAL-108ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104VAL-112SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6074)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104VAL-126ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7800)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ALA-115GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5784)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ASN-139VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1855)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ASN-146GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.9127)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ASN-154ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=4.8099)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ILE-128LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2832)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ILE-131ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5884)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ILE-135LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105LEU-114TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.0647)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105LEU-168ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0910)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105LEU-175PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6630)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PHE-127LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0037)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PHE-130ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.9145)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PHE-130ARG-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7120)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PRO-128ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.1402)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PRO-181TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-8.3521)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105TYR-149HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.5494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106ASN-130HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=1.4994)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106ASP-133GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=4.9957)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106GLU-129LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-113.6362)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106ILE-168ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4210)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106LEU-126LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.3803)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106LEU-149PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6502)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106LEU-149PHE-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.1082)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106PHE-109PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.2536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106PHE-178LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.5599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106SER-128PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.3098)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106TYR-112SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1064)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106VAL-112LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7046)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107ASP-125ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-24.2888)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107ILE-153TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9685)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107ILE-158MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107THR-125ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6889)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107THR-129LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-18.2962)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107VAL-147PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0184)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107VAL-147PHE-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9504)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108ILE-122VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108ILE-146GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108LYS-131ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4466)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108LYS-160LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2911)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108PHE-125TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108PHE-127PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7043)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108PHE-150VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9970)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108TRP-151ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.9647)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108TRP-155VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109ARG-115GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-113.5260)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109GLN-161GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109GLN-161GLU-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-13.2355)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-113ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.1411)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-181ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-182VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3813)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-185VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2903)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-228TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.7278)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109SER-137ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=1.4487)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109THR-131VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2106)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109THR-158MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8885)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109VAL-164ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4530)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ALA-161PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8838)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ALA-164ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6234)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110GLU-129LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-114.7640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-116PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-149ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-151VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0969)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-162VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9652)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110LEU-125VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4420)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110LEU-127ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4249)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-123ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.3149)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-128PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6800)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-222TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.4384)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-226LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1747)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-226LEU-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110THR-127GLN-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-6.0615)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110THR-129TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-5.5594)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111ASP-156SER-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=8.3334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111ASP-193HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-10.3577)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111HIE-218LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.4904)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-116ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-130TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3454)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-158LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5079)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-169LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5189)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111TRP-115GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.4587)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111VAL-125ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5423)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ALA-128PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9169)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ALA-131VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9451)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ARG-115ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.9306)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ARG-125PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.1369)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ARG-127GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7530)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ASP-183GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=84.3032)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ILE-125VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2793)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ILE-142ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0705)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112LEU-142PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2778)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112LYS-127LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0109)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112PHE-121LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5651)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112PHE-125HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4173)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TRP-119ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0278)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TRP-119ARG-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.1084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TRP-120VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6273)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TYR-125GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.3046)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TYR-128LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9668)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TYR-190ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-8.3702)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-118ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.1288)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-120VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7136)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-122VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4259)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-225TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0611)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ASP-195GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-14.6661)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-131VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5481)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-164HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2968)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-185VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.1806)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-190ARG-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.0647)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-232ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1045)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113LYS-117GLU-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.7810)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113LYS-170VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8472)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113LYS-173GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-124.1496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113SER-120ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5291)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-119PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.0473)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-124HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.9961)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-126ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9767)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-171ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-22.3418)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-178ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.3072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TYR-124THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1793)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113VAL-120HIE-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.1160)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113VAL-143PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9300)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114ALA-160ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5690)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114ASN-122ARG-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8539)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114ASP-179LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.7266)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114GLU-144ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-7.9217)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114GLU-146ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-120.7200)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114LEU-118ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5589)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114LYS-225TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.0790)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114VAL-167GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.0988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115ASN-124LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1762)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115ASP-156ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=83.7046)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLN-118ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.8183)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-123PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1489)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-123PRO-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.0765)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-160GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=62.3163)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-163TYR-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.2516)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115MET-168TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8047)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115PRO-129TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.6383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115THR-138VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4946)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115THR-142GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-19.9521)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115THR-142GLU-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-17.9889)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115VAL-122MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7366)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115VAL-123PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8375)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115VAL-130ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.5968)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116ALA-162PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2804)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116LYS-144SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-8.9320)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116PHE-130VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4797)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116PHE-165VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0027)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117HIE-123PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4691)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117ILE-142PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1866)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PHE-125TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.1310)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PHE-130HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4734)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PRO-126ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9139)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PRO-129TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.8249)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PRO-130LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117VAL-166ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7228)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ALA-160VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ARG-157ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=8.9830)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ARG-185ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=62.3910)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ASP-136HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-26.2188)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118GLN-121PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118GLU-173PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.6420)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118GLU-176THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7732)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-136VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-165ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4402)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-166TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-178TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118THR-121LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1065)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118VAL-162PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5815)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119ALA-160LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5987)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119CYS-168HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.5604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119LEU-137ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.0744)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119LEU-137ALA-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119LYS-186VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7217)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119MET-144SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1091)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119PHE-124HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.7372)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119PHE-176THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1094)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119SER-123ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.9570)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119SER-140TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6617)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119THR-123THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0038)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119THR-123THR-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4816)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119TYR-174ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120HIE-185ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9882)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120ILE-123TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5783)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-123ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6016)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-124ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.9441)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-124LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3138)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-135ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7873)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-171TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-171TYR-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8074)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LYS-138VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LYS-142ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-99.1012)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120PRO-126ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5752)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120SER-136HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3619)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120THR-143VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.3616)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120THR-147GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-20.1528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120TYR-141PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3267)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120VAL-123ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8621)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120VAL-154ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8700)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120VAL-275LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5004)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121ASN-132THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2166)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121GLN-144ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-22.5336)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121LEU-125HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8002)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121LEU-125HIE-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8074)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121PHE-126VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121PHE-191LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121PHE-219TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121TYR-125LEU-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.1207)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121VAL-157ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9669)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122ASP-125LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.0666)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122LEU-188VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5527)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122MET-126GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-8.0781)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122VAL-125ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5115)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122VAL-143VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122VAL-152PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7389)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123ALA-128VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5395)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123ALA-158ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=1.6124)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123ARG-127GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.9930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123MET-140ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123SER-182ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9077)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123THR-136SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.2843)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123TYR-154VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123VAL-134LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ALA-156THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4984)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ASP-131THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=4.0529)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ASP-132THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-20.3177)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ASP-134ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-112.6201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124GLN-200ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9537)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124HIE-140GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-24.9980)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124HIE-143VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5870)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124LEU-136HIE-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5018)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124LEU-181VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4315)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125GLU-192PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-5.3223)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125ILE-136TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125LEU-129LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3358)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125PHE-143VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2989)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TRP-138SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.3912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TRP-150VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2044)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TRP-152LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.0119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TYR-164HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.0690)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ALA-140GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ASN-129ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.0258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126GLU-130ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-104.8786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ILE-136PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8282)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ILE-139PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2772)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ILE-139PHE-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.6895)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126LEU-130HIE-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1512)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126LEU-162PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9423)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126LYS-158ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7145)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126PHE-132HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5601)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126PHE-171TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.6215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126PHE-176TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.8485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126SER-171ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7041)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126THR-197TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3543)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127ALA-177ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.4689)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127GLU-146ARG-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-97.4221)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127GLU-269HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2191)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127GLU-269HIE-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=12.9939)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127LEU-210VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4693)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127MET-131LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-132ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3927)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-133SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9984)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-138SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7025)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-140HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.7032)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-158VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9571)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-183TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.3290)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-206ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1614)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-237ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0360)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-239PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.0939)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128ILE-131LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6063)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128LYS-183TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.5740)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128PHE-235LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7226)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128PHE-252LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6512)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128PRO-275LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128TYR-158MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.0485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128TYR-160LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2507)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128VAL-160LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8709)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129ASN-132TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.7955)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129ASP-140HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-25.2136)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129ASP-148TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.0183)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-155PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9630)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-192PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5185)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-195PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2956)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-277TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.9200)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-277TYR-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1727)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129PHE-133VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9466)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129PHE-156ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-7.3105)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129PHE-166PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.1143)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129TYR-133ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-8.5764)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129TYR-136TYR-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.4625)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129VAL-159PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2236)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129VAL-184PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8235)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130ARG-170TYR-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.3314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130ARG-244ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.1292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130ARG-248GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-76.7064)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130GLN-134GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-17.0684)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130GLN-137ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.0888)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130PRO-135ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130PRO-139ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130PRO-180PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0710)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130SER-149HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-8.6880)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130SER-153TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-5.6960)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130VAL-139ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.1252)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130VAL-162VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6121)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130VAL-185PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0546)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ALA-140HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8474)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ARG-134GLU-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-79.6551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ASP-147PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5626)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ASP-182PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.5386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131LEU-136VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.0788)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131LEU-160MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7898)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131PRO-219VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7031)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131PRO-220GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.2135)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131THR-149LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5854)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ARG-136ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.8060)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ASP-156ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-103.0058)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132HIE-135LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132HIE-147ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-26.0389)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132HIE-149ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ILE-135PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9007)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ILE-138TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.0383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ILE-146TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9495)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132LEU-198PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9765)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-162VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5503)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-174SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8801)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-176VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3550)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-183GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.9959)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132TYR-136PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133LYS-136ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-103.0825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133LYS-198PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133PRO-151ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-5.1960)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133SER-161GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-18.1722)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133TRP-143MET-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.5660)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133TRP-148VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.5327)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133TRP-277TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=1.0845)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133VAL-137ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.8785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133VAL-146TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.1136)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134GLU-138ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-104.5986)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134ILE-147ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.0521)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134ILE-167LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4397)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134LEU-205TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6331)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135ARG-193VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.1281)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135ILE-180PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LEU-139LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LEU-163LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2732)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LEU-179LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.3539)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LYS-157GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-105.5264)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LYS-177ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PHE-147TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.1749)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PRO-140SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8911)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PRO-144LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9580)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PRO-155PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135TRP-147GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-6.2965)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135TRP-208ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136ARG-142ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.3382)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136ASP-198PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-7.1405)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136ASP-201VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.3193)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136CYS-143PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.1983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136PHE-141ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8196)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136PHE-146TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.2356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136SER-144ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-14.5792)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136TRP-155CYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136TRP-165ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-22.8071)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136TRP-179MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4628)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136VAL-169LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6763)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137ARG-154TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.7637)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137ARG-154TRP-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-6.8036)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137ARG-157GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-101.2943)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137GLU-143MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-5.2675)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137SER-156ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9944)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137TYR-166SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.3307)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138ARG-142GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-92.7709)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138ILE-156ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.9560)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138LEU-149PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138PHE-153PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.6647)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138SER-169VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138TRP-146PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.2961)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138TRP-243LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138VAL-144ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7784)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139ASN-154SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-5.2905)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139GLU-144LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-116.5214)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139ILE-143TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3160)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139LEU-204TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3727)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139PRO-180PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139TYR-148SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5953)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140GLU-143VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.9373)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140GLU-155THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-17.0571)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140GLU-156ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-119.2772)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140LEU-168LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2019)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141GLN-160PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8971)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141LYS-144GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-111.3636)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141MET-155ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6114)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141PHE-152PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.2915)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141SER-144ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-14.0086)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141SER-154ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4147)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142GLN-154GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-5.6345)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142ILE-155LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5070)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142ILE-155LEU-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7273)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142ILE-185VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9832)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142PHE-170ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9080)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-147LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-9.1774)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-148TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.9349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-150VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2242)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-160PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.0813)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-170ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.1538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-199THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4039)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-203VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8708)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143ARG-187ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-116.2390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143ARG-188LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=62.4166)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143GLN-147GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-23.5595)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143ILE-146VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5150)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143LEU-160ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.8361)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143TRP-146LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-5.1673)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143TYR-150ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.9994)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143VAL-147LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6775)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143VAL-152PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0495)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144ARG-147GLU-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-92.5507)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144ASP-150SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-15.4525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144ILE-155THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9597)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144LYS-161GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-122.4704)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144PHE-153LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.1541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144PHE-155ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7454)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='145GLN-149MET-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=3.4917)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='145LEU-149PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9729)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='145THR-149PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7341)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146ARG-207GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-118.8743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146GLU-158SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=9.2273)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-149PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.7616)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-150LEU-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7863)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-150VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5399)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-164TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-165PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1677)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-199LYS-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8655)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146VAL-161VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6576)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146VAL-161VAL-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5289)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146VAL-165HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5308)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147ASP-171TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-25.4952)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147ASP-188LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-111.2319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147LYS-203VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147PHE-159PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.8301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147PHE-182PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.9601)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147VAL-175SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8810)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148ALA-158LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6094)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148HIE-152GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.7707)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148ILE-202VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6234)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148ILE-204ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.5032)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148PHE-164HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.7717)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148PHE-165TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.4620)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148SER-163ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8829)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148TYR-170ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-167THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3295)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-171TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-5.0822)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-175SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.1341)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-177ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-6.3538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149LEU-152GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5305)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-159ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.9805)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-164PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-165PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7687)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-169VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PRO-152GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.1945)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PRO-152PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149THR-157PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9775)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149TYR-153PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.8104)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150ARG-157ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-113.2346)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150ARG-208ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.2964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-153PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8819)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-154TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5598)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-159PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2326)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-167LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-170HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0694)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-202LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9101)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-203GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.4874)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LYS-158LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5780)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='151ILE-159VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.0298)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='151SER-159PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.2687)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='151THR-163THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=5.2468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152ASP-156LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-5.2654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152ASP-158LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2905)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152CYS-197VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.5548)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152LYS-156ASP-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-115.3777)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152LYS-277TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.7174)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153ASP-156ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-67.2232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153ASP-200ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-106.3327)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153LYS-203GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-115.6010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153PHE-163LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153TRP-158MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.7697)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ARG-204ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=61.6903)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ARG-208TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-10.8981)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ILE-159GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5991)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ILE-160VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5744)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154LEU-191TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2628)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154LYS-159ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6728)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154TYR-203GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=4.7954)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154TYR-207ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.4065)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PHE-197TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PHE-277TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.1315)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PHE-284LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PRO-170TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3385)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-171ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-94.9887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-172THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-14.5916)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-197GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-114.3570)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-200TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.6924)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-200TRP-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-12.3854)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156SER-191TYR-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7979)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157ASP-202VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.3310)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157ASP-204ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-118.3918)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157ILE-160CYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157MET-181ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.3270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157MET-192ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0934)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157PRO-161VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0247)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157VAL-167PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2836)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158ALA-193HIE-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158ALA-284LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4520)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158ILE-164LYS-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9076)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158LEU-172THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2522)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158VAL-169VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.0150)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158VAL-205TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ALA-197TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5666)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159GLU-170LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.5041)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-172TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6959)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-199LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8547)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-200TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5862)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-203PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4793)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PHE-206ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7689)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PRO-164VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PRO-178TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.7740)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PRO-192ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159VAL-180LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160LEU-164TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5976)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160MET-169LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1683)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160PHE-169VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7744)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160PHE-203VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1049)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161ARG-285ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-86.5653)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161ARG-288ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.2319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161ARG-292GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-119.8433)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161THR-194VAL-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161TYR-201ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.3506)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161TYR-204ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2275)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161VAL-170LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5908)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162ALA-174ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162ALA-175TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.3256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-198PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0956)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-201LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4278)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-203VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7854)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-208ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.0324)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-284LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4106)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162PHE-168LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.0579)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162PHE-207ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162VAL-167CYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9412)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162VAL-167TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4629)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162VAL-167TYR-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1259)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ARG-201LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.2688)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ASN-166ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8200)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ASN-196ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-5.8251)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ILE-166CYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7440)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163LEU-171ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6006)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163LEU-175LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.1849)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-174ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.1297)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-178TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.7579)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-180LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9973)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-180LEU-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-183LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-6.4201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-184VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-187GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=4.0513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='164VAL-171ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9332)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='164VAL-225LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165ALA-292GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.3394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165GLN-224MET-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.0205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165LYS-169ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-112.4278)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165PHE-169VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5476)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-168ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=3.2311)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-171VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-208ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9286)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-208ILE-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6170)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165VAL-177ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5911)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='166ILE-187ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='166PRO-171VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6312)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='166PRO-172VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='167GLU-187ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-117.1575)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='167PHE-170TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.7596)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='167PRO-170VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168HIE-180GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-24.6066)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168ILE-178VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5251)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168LEU-172ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.4849)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168LEU-211ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.9951)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168TYR-203ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2396)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168TYR-224MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5152)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169ASP-172SER-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-18.8344)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169LEU-181TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4257)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169LYS-172ILE-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.8495)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169LYS-291ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5320)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169MET-184VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.1914)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170ALA-175TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2229)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170HIE-174LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170LEU-178LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0305)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170LEU-186TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4058)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170THR-180GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6755)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171ASP-176THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-17.6597)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171THR-180SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-5.2167)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171TYR-180PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=2.1527)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171TYR-231VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2082)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='172ASP-204TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-25.7833)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='172ILE-235VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6185)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='172TYR-193VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9053)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173ARG-234ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-116.5823)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173ARG-296LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=58.6016)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173CYS-269HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173CYS-270TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1380)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173LEU-190VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5837)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173PHE-176THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173TYR-211PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173TYR-213ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.1059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173TYR-245ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3083)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174ASN-178LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-24.8114)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174MET-177ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2123)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174THR-205LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-203VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8639)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-205PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6888)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-270TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2853)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-273GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7682)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-273GLU-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9129)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='175LEU-233ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4127)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='175VAL-268LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0074)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='175VAL-274ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-6.8851)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ALA-195LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6631)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ARG-182GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-114.7195)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ARG-273GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-76.3589)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ILE-198PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3503)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ILE-201ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5179)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ILE-205LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-204TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8092)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-208ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7155)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-208ALA-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5702)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-214PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5657)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176THR-180LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8016)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='177ASP-216GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=70.3962)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='177GLN-190VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1037)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='178SER-239ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-18.9681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179ALA-225TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9105)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179ALA-238MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7778)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179ALA-250ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8074)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179LEU-239PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7600)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179TYR-216GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=4.3417)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179TYR-250PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.9737)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179TYR-258TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.3645)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180ASN-219SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.9108)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180ASN-229TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.6510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180GLU-187ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-101.3700)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180GLU-189ARG-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-105.3216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180GLU-194ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-115.3716)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-184VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3606)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-209TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-11.3211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-214PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6231)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-224ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8678)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181ILE-228TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181THR-195SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-5.1893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181TRP-185GLN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.1663)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181TRP-189SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9347)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181TRP-258TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.8349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ASP-186ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-11.3089)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ILE-192ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8180)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ILE-239PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0638)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ILE-242LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5574)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182PRO-186LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182PRO-186LEU-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182PRO-189ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.0747)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-190LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4481)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-194ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-205LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.0530)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-209TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=2.0924)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183TYR-186LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-14.9289)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184ASP-187ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-87.8106)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-205THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8710)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-209LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3862)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-225TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.3945)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-228VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3434)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-238MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8564)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-255TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6701)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184THR-220ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4691)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184VAL-225GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5794)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185PHE-190LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.0739)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185TYR-220PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185VAL-224ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.1809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185VAL-228TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4275)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186CYS-192PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9306)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186GLU-189LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-108.9699)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186LYS-191VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7070)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186LYS-191VAL-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4908)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186TYR-273GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=4.8964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186VAL-208PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2150)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186VAL-223LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='187LYS-193THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5725)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='187LYS-193THR-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6937)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='188LYS-225GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-5.2770)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189THR-199LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.1810)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189THR-205PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4091)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189THR-207GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-16.7780)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189TYR-232ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5986)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='190ARG-235LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.0809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='190LYS-193GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-108.9181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='190PHE-199LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='191LEU-219TRP-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.4531)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='191TRP-229TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2622)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='192GLN-197VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='192ILE-242LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5714)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='192SER-269ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-9.7843)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='193HIE-248MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9343)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='193HIE-301MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.0366)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194ASP-269ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-119.4888)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194ILE-205LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6034)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-198PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.9338)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-201LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.9111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-217PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-233ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.9089)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-237ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6024)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-241TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.6878)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195ASP-241TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=5.9966)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195LEU-205PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9031)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195LEU-237ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.3870)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195LEU-269ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.6113)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195PRO-198PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.7833)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-218GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=10.5885)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-221MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-249ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6890)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-249ILE-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5519)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='197TYR-201LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8000)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='197TYR-252PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.0286)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='197TYR-284LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7889)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198ASN-201LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-205PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-217PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0267)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-284LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0726)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-287LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6025)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='199LYS-207GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-108.8701)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='200TRP-204ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.3162)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='201LEU-284LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6182)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='201SER-209ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.3699)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='202TYR-212ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7030)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='202TYR-241TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.2486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='203VAL-291ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7038)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205LEU-212ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205MET-223ASP-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-5.6292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205MET-224MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7105)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205THR-209LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='206ASP-210TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-27.6843)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='206VAL-231TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4130)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='207PRO-216VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4929)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='208ALA-214PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2308)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='209TYR-214PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7985)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='210GLU-213LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-109.8633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='210TYR-216ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7167)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='210TYR-286TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.1587)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='211ASP-214LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-114.8297)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='211PRO-245ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7787)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='212ALA-221GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.4644)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='212ILE-243LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='212PRO-215ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0389)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='214ILE-217PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6259)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='215ALA-282PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7716)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='217PHE-234TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.0969)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='217PHE-247ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0285)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='217PHE-249TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.6291)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='218ALA-249TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.6303)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='218ALA-258TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219SER-229TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.5661)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-222TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5102)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-222TYR-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6966)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-272ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9293)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-286TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2233)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-288LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.1439)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='220ALA-256THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='220ALA-286TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.2410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-226LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-4.2504)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-230LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-111.6504)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-231TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=7.2439)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-262SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-18.4942)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-263SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-18.8474)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-265GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=81.2340)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='222ALA-249ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6511)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223ASP-286TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=4.6693)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223ASP-288LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.6069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223ASP-289SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-20.0286)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223LEU-227ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=1.1195)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='224MET-229PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.4516)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='224MET-229PHE-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='225ASN-228ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.7051)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='225TRP-228VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0464)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='225TRP-252GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.4253)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-233LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.3488)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-247VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1238)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-294TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.4198)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-294TYR-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5242)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LYS-262SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-17.9303)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='227HIE-255SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.3515)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='227HIE-256LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.2458)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='227HIE-289SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.0841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='228ARG-232GLU-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-92.0212)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='228VAL-254THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.3740)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='232PRO-290LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7234)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234ASN-237ASN-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-260LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.8940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-262VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4637)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-286TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.0850)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-286TRP-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.4349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='235VAL-294ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236ILE-258LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.4433)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236ILE-260ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9366)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236PHE-262VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.9593)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236PHE-279ILE-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8372)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236PHE-282GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0991)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237ILE-267ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5814)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237ILE-269ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5721)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237TRP-246PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.0761)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237TRP-249ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.6224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237TRP-263ASP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.9898)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='238MET-247PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0726)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='238MET-255TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.2262)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='239ASP-244THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-3.7654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='239ASP-271PRO-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-12.3673)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='240ASP-270SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-18.2040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='240PRO-268LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7558)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='241ARG-272GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-92.3690)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='243LEU-269HIE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.4249)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='244SER-294TYR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='245ILE-250ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7480)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='245PRO-248GLU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.3480)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='248MET-298ARG-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9436)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-269MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.6439)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-276ILE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.3601)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-297PHE-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.5872)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-300LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7574)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='250ILE-255TRP-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8784)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='250ILE-255TRP-2', method='SCMICCSDAF12', mode='CP', basis='adz', value=-2.2685)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='251LEU-269MET-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.3876)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='252PRO-258ALA-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.5808)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='253ALA-261THR-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=0.8312)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='253ALA-302SER-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='255TRP-261VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.8493)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='258LEU-261VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7563)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='261VAL-266VAL-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.2464)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='264ILE-271LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.7182)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='270SER-283LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-0.9233)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='273PRO-283LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0952)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='274ILE-279LYS-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.0001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='275ASN-278LEU-1', method='SCMICCSDAF12', mode='CP', basis='adz', value=-1.1662)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-005ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-61.7416)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-013ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=63.1560)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-015GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-80.7222)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-159VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.0126)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ASN-026VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7764)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ASN-030MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.9240)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ASN-097GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-16.8532)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001HIE-099GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6819)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LEU-071LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LEU-154LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5878)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LEU-190THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5195)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LYS-027ASN-2', method='CCSDTAF12', mode='CP', basis='adz', value=20.7936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LYS-027THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7542)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LYS-027THR-2', method='CCSDTAF12', mode='CP', basis='adz', value=1.3871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-005GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3147)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-027VAL-2', method='CCSDTAF12', mode='CP', basis='adz', value=2.8885)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-031VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=2.4680)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-047GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-5.2077)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001PRO-046ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.1642)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001SER-030GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.1942)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ALA-101ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8002)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ARG-006GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-90.7744)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ARG-020PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.3157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ARG-046LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.3149)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ASN-022GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-21.3204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ASN-026ASP-2', method='CCSDTAF12', mode='CP', basis='adz', value=-8.5106)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ASP-145HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-6.7435)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-005GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8471)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-006GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-153PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-163LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5442)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-006GLU-2', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9615)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-007ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-035GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-110.4906)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-075ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-22.7447)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-080ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-082TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-8.5198)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002MET-031TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9506)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002MET-050ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9867)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002TRP-012VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7815)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002TRP-138SER-2', method='CCSDTAF12', mode='CP', basis='adz', value=-5.8961)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002TRP-139LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7759)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-009TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6241)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-042PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0018)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-042PHE-2', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6247)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-043HIE-2', method='CCSDTAF12', mode='CP', basis='adz', value=-2.2636)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-046SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4064)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ALA-007THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003GLU-006GLN-2', method='CCSDTAF12', mode='CP', basis='adz', value=4.2931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ILE-062ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.1805)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ILE-065SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.2486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ILE-067TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5286)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003LEU-033LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6727)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003LEU-054LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6586)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003LYS-055LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4304)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003PRO-025ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2177)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003SER-096ASN-2', method='CCSDTAF12', mode='CP', basis='adz', value=0.0215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003THR-181VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1280)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003THR-182GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.5554)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TRP-163PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.1997)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TRP-167GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6852)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TRP-167GLN-2', method='CCSDTAF12', mode='CP', basis='adz', value=-2.5798)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-028VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3418)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-028VAL-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6874)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-030GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.6466)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-054VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-056ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-073CYS-2', method='CCSDTAF12', mode='CP', basis='adz', value=-3.1064)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-074SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7592)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-096HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.3391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-009TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3883)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-012GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.7552)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-036PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3150)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-064TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-081THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4826)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-083PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6593)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-118ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6908)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-121TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1382)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-024THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-15.4078)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-057ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0381)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-057ILE-2', method='CCSDTAF12', mode='CP', basis='adz', value=-0.0907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-095TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5977)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-095TYR-2', method='CCSDTAF12', mode='CP', basis='adz', value=-6.2306)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ASN-009TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.9867)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ASP-043THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-16.6248)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ASP-194ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-102.8285)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004GLN-007ASN-2', method='CCSDTAF12', mode='CP', basis='adz', value=-3.6223)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004GLN-056GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-7.3427)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004GLU-039THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-16.4545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-010TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9832)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-031TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3065)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-032HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1590)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-040GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.8451)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-179LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7253)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-180LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.1846)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-180LEU-2', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9475)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-183LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5299)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LYS-030ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.3842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LYS-031ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8522)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LYS-323PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3621)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-116VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-135LEU-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.9262)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-158LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-160PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8317)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-007LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0851)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-009TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.6287)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-026TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.6169)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-029PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.3879)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-068VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6322)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-074ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1097)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-094LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-096TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.6233)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004SER-027VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6381)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004SER-030MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6267)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-078LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5667)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-132LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-12.8352)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-163LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4013)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-164GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-15.9995)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TRP-014ARG-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6009)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TRP-016LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.6073)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TYR-075PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TYR-105LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4223)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004VAL-053LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.1484)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ALA-019PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6714)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ARG-012GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-107.0608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ARG-071GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-95.8732)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ARG-158LEU-2', method='CCSDTAF12', mode='CP', basis='adz', value=-2.2420)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ASP-103GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-12.7022)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ASP-128ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-100.9124)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ILE-054SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2362)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ILE-234TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ILE-277LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3834)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-010TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0052)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-011PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.3531)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-015LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.9171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-023GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8570)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-025ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4832)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-025LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5810)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-030ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.2468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-030LEU-2', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9034)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-032MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7539)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-037ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6412)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-068ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7369)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-077LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-083HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-106TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.9567)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-191TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-022VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-031TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-037PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6876)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-043TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.3452)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-049LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-050TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.9625)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-155SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8074)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-162GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.2250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-163LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5041)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PRO-196ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1733)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005SER-028VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6247)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005TYR-166TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.4271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005TYR-168VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-008GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5418)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-023LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-035PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-037ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3829)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-039SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.2351)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ALA-078GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6607)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ARG-090TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.0816)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ASP-010THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=6.0350)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ASP-116VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5643)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006GLU-010TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.8173)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-108PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8634)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-126VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-319TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5730)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-323PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0620)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-018ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-6.9234)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-039THR-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-050VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7963)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-053LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9714)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-061PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.5257)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-163LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006THR-097VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6484)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006TRP-026TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006TRP-038VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0303)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006TRP-040LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-020VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7870)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-023MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-024ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7749)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-026LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4471)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-038ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.2702)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-053LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6619)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-055GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.2895)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-175PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.9088)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ALA-011ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9894)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ALA-021PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0134)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ALA-049VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3130)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ARG-011GLU-2', method='CCSDTAF12', mode='CP', basis='adz', value=-103.0127)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ARG-062TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0729)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ARG-063PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.8024)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASN-109GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-19.1799)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASP-011GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=7.1146)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASP-119SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-5.7485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASP-131ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-111.2688)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007GLU-033LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.7555)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007GLU-033LYS-2', method='CCSDTAF12', mode='CP', basis='adz', value=-100.1358)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-015LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9323)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-030LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3901)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-030LEU-2', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4939)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-038TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7726)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-042LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.1222)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-097VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6761)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-017ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8098)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-026VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.2459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-033LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-090TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3559)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-096TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-168HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7521)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LYS-011ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-113.1259)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LYS-093SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8916)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LYS-099THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7304)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-019VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7373)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-021PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.9333)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-021PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7405)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-022VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3993)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-024VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.1995)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-035PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3835)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-084LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7910)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-091ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6807)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-111PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-157ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-160CYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9312)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007SER-010ARG-2', method='CCSDTAF12', mode='CP', basis='adz', value=-8.4667)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007SER-100ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.6634)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007THR-031LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.2269)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007TYR-053TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.1973)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-022SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.0330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-026GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4956)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-034ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5735)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-038VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-040THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4405)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-154GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6748)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-154GLN-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1867)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-191TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2239)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-248MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6977)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ALA-034ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ALA-035GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.0042)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ALA-038MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6423)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ARG-115SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-14.9709)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASN-030LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-25.3040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASP-018ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.8574)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASP-018ARG-2', method='CCSDTAF12', mode='CP', basis='adz', value=-111.4517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASP-058ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-012HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7899)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-015TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1734)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-032MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6126)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-033PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2052)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-034LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.2415)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-035TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3537)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-041TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0815)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-058PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.4089)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-062TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LEU-017ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LEU-088TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3876)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-043THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-14.3055)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-065VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5724)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-068GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.1682)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-068GLU-2', method='CCSDTAF12', mode='CP', basis='adz', value=-106.3891)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008MET-158LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.2992)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-042LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8708)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-044ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1227)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-097VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8634)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-099HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.4083)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-101HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.8962)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PRO-183ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-13.2381)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008SER-032SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-5.4987)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008SER-093TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4318)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TRP-035PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.5213)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TRP-250PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.3033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TRP-252GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-20.2769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TYR-052TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.9220)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-039TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0116)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-041VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3673)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-066LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.1847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-072SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-080PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2888)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ALA-084LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5307)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ALA-091ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.2031)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-023GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-96.1036)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-031TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-12.1451)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-092LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.4319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-103GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=5.1453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-106ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-89.6475)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-128ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.5765)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-128ARG-2', method='CCSDTAF12', mode='CP', basis='adz', value=59.6555)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ASN-024ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=9.1354)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ASP-021LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.6548)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009GLN-068ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009GLN-072ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.6057)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-013TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1316)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-038LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4207)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-052PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-092LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8574)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-092LEU-2', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5777)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-105LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7263)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-108PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-155ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-013VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6997)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-033LEU-2', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-039ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6333)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-041VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7058)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-041VAL-2', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3984)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-055SER-2', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8051)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-058ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LYS-137LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.4730)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LYS-171VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009PRO-069TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0722)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TRP-111ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-11.4974)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-016GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=4.0139)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-029THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1143)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-033ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.7643)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-035SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3978)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-050PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.5147)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-053TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.8087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-111ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-23.3160)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-121TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.0638)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-158ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.0678)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-301MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8290)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-303TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.7442)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-021PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.9681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-025ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4628)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-035ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6323)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-084ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4027)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-086TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4760)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ARG-039ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-100.9437)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ARG-042ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-90.8216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ARG-092LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0004)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASN-014GLN-2', method='CCSDTAF12', mode='CP', basis='adz', value=-5.9030)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASN-023GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-23.4319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASN-088TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.7810)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASP-090TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-25.5139)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLN-022MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.0925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLN-102TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.6185)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLU-014LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-68.1515)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLU-032SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=10.0720)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010HIE-015TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.2712)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010HIE-023ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0814)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010LEU-091ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0875)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010LEU-096TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9148)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010LEU-132ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8903)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010PHE-028ILE-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6365)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-022LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.3714)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-025VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2514)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-032ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5046)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-032PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.9755)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-034VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0730)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-052TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4064)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-058PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.9098)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-081VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.5939)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-081VAL-2', method='CCSDTAF12', mode='CP', basis='adz', value=-2.6039)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-017GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=3.2855)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-049PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.4916)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-052TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.3084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-163TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5506)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-027ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-028LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6632)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-034TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9131)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-040PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-044ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3544)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ALA-016GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8951)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ASP-091ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-18.2839)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011CYS-042VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011CYS-042VAL-2', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011GLU-062TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=2.7615)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011GLU-100THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-8.9145)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011HIE-015ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=2.0317)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011HIE-304SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=1.1638)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011HIE-306ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.1958)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-017LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3596)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-018ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5721)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-024ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6265)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-024ILE-2', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-028LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.2304)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-037LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.0945)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-038TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0949)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-042LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5985)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-045VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5221)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-062HIE-2', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9477)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-069TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9686)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-071GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1614)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-102TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-102TYR-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7864)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011PHE-044TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011PRO-020ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3692)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011SER-223GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-18.7662)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011THR-017ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4573)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011THR-166GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.4600)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011THR-166GLU-2', method='CCSDTAF12', mode='CP', basis='adz', value=-16.7723)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-018ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-8.3052)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-023ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-8.1979)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-051GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-10.5741)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-102GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.9466)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-169ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-144PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1716)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-153LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4897)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-153LYS-2', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6891)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-155ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.1756)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-055PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6562)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-059PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9822)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-108PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9839)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-139ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6082)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASN-048PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5826)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASP-024LYS-2', method='CCSDTAF12', mode='CP', basis='adz', value=-77.4759)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASP-026TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-7.7124)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASP-069TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=3.3244)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLN-034GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-7.0498)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLN-044TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLN-048TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8239)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-017GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-019THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-17.3972)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-068HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=11.9593)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-070TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-5.4119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012HIE-015ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012HIE-033LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9134)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-016THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7331)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-018LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4645)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-028LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.2298)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-044ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-046LYS-2', method='CCSDTAF12', mode='CP', basis='adz', value=0.0054)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-046VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4376)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-024VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-027PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2845)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-033LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.2285)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-035TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-039ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-047ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4320)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-057LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4693)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-062HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8244)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-064LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8041)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-065LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7022)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-070MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8003)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-074VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.1479)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-083ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-085ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8279)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-088TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6595)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-026PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.0350)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-040PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5823)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-116PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4849)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-163ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8124)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-166CYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1963)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012SER-138SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.8083)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012SER-166PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012TYR-087PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.4403)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-016LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3618)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-023LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3611)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-088PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-114PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0593)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-146PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9702)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ALA-096TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.5314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ASN-149ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-7.6372)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ASP-016GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=62.7786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ASP-023ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-118.0987)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-039ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-91.8028)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-052ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7609)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-056GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-22.4778)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-065LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.4993)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-069ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-115.9818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013HIE-032ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4806)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013HIE-095HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.7680)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013HIE-121TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-11.0509)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ILE-017LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7693)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ILE-105ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4614)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-017ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-063ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5473)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-065PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.9753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-066ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-069LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6985)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-077LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.2628)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-082VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5804)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-084ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-036VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8445)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-060TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.3258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-062LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5787)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-063PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7906)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-083ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0358)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-085ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8083)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PRO-032VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.1067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PRO-034GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6452)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PRO-129THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0571)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013SER-047TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4594)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013THR-164GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.0576)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013TYR-075LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.9509)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013TYR-075LEU-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5798)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-016PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6884)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-066LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-154ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3136)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-154ASN-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ALA-055LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5331)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ARG-083THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=2.6543)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASN-027ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2161)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASN-061LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-24.8808)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASN-137TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.7419)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASP-017ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-81.1439)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLN-093VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLU-036LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-121.6886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLU-069ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.7231)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLU-164TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-27.0119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014HIE-043TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5977)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-025TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7904)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-027ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3668)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-081PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2514)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-085ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5589)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-088MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9461)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-061GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4967)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-070TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8561)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-163ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6403)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-174PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9309)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LYS-023GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-125.2206)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014SER-017GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-15.9724)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014SER-084GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.8633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-019GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.4620)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-021PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7325)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-022LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6447)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-022LYS-2', method='CCSDTAF12', mode='CP', basis='adz', value=-2.0223)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-082PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.9770)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014VAL-091ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4507)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ARG-020ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-100.1612)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ARG-164ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-019THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-5.0215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-048GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-7.2234)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-069ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.2564)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-149PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015CYS-057LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1713)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015GLU-019LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-106.7422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-019PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4676)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-023LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4147)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-030LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9179)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-034LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4331)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-035ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7302)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-136HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7140)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-035TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9480)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-038LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5041)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-080PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7219)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-084TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3894)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-102SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.2912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-047TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7290)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-047TYR-2', method='CCSDTAF12', mode='CP', basis='adz', value=-13.3675)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-220ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-107.8592)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-223GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.5377)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015MET-023LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015MET-023LEU-2', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9323)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015PHE-039ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9038)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015PHE-044LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5539)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015SER-018THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.1901)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015SER-037LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6299)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-019ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6729)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-021MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9362)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-060HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-8.9069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-061GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-5.4764)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015TRP-025THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1973)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015TRP-096TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.0985)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015TYR-034ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.0189)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015VAL-060TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0619)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ARG-047PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.3956)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLN-048ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7920)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLN-098LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4917)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLN-101GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.3162)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLU-035TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.0265)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ILE-021VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ILE-145LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4643)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ILE-219PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8275)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-036LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.2518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-046ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.2932)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-062LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.1788)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-065LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5845)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-072PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4567)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-082SER-2', method='CCSDTAF12', mode='CP', basis='adz', value=0.3718)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-137ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6699)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-141MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LYS-085GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-106.2302)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-034VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8748)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-036VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7843)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-132ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9241)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-176PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.8963)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-192LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.2415)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016SER-031ASN-2', method='CCSDTAF12', mode='CP', basis='adz', value=-5.3467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016THR-022MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016TYR-079ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6864)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-033THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-055PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-059PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-084ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4220)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ARG-056HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-8.8381)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASN-021LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-19.6777)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASN-029ASN-2', method='CCSDTAF12', mode='CP', basis='adz', value=-6.7904)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASP-049ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-77.1200)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASP-060HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-7.9718)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLN-024ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-8.2844)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLN-093VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.2489)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLN-094ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-25.2475)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLU-036TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.6482)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLU-072PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.9375)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017HIE-033ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-20.2463)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017HIE-035TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-6.2063)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-021LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2531)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-028LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7077)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-028LEU-2', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3570)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-030PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9079)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-055HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.0661)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-149PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.6157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-050ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4289)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-056PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6463)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-066LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.3023)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-083ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7094)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017MET-020LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-022SER-2', method='CCSDTAF12', mode='CP', basis='adz', value=-3.2711)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-025TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-077ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-7.6898)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-081PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.6532)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-084LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4932)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017THR-078GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-14.6937)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017THR-307TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8716)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017VAL-049LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6904)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ALA-023VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ALA-026GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.9422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ALA-027VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3867)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ARG-057THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5246)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ASN-227ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0835)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ASP-032THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-20.0829)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ASP-034ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.2944)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018CYS-132HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.9863)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018GLU-074ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.0244)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-022GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3550)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-052VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5052)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-055ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4428)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-055PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1290)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018LEU-039ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=1.6729)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018LYS-024TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.6057)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-060HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8433)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-085GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5423)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-086VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1859)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-139LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8318)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018SER-024LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3354)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018SER-040GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-18.1558)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018THR-035ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5146)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018VAL-034ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6858)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018VAL-164TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6575)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018VAL-166ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7867)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ALA-055HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5611)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ALA-058TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3552)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ARG-027ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=59.7930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ASN-053VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0568)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019GLN-026GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.1291)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019GLU-022LYS-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0077)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019GLU-025THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-17.3277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ILE-051VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6805)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-037ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5949)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-041VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8832)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-061ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6345)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-062LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8543)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-062LEU-2', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9713)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LYS-027VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6296)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LYS-031HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6230)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LYS-071GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-117.1045)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019PHE-049LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8300)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019SER-023ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.0533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019SER-023ARG-2', method='CCSDTAF12', mode='CP', basis='adz', value=-6.0568)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019SER-026ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-14.4341)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019THR-022MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3909)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019THR-035GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9570)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019THR-035GLU-2', method='CCSDTAF12', mode='CP', basis='adz', value=-2.8512)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019TYR-050TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.0342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-027ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7145)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-058VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.1149)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-075LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3896)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-081LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5142)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-137ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-138VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.0462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-138VAL-2', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4734)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ASN-039LYS-2', method='CCSDTAF12', mode='CP', basis='adz', value=-25.4439)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ASN-040LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-24.2605)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ASP-082LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-79.9321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020GLN-036TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.0435)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020GLN-059ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.4175)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020HIE-062ASP-2', method='CCSDTAF12', mode='CP', basis='adz', value=9.9922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020HIE-068LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.3551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-023VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-032THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6530)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-082ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4680)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-309ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3628)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LEU-024VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9399)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LEU-038ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3103)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LEU-042VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=1.0950)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LYS-040GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-122.0062)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PHE-135PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.4345)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PHE-149LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1416)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-023ARG-2', method='CCSDTAF12', mode='CP', basis='adz', value=0.7557)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-177PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0303)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-178LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-181ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.1704)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020SER-058VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.1393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020SER-091ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6617)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020VAL-029TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9113)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ALA-039TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8281)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ALA-057VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3047)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ALA-100ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2590)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ARG-033THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ARG-035GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.5447)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ARG-035GLU-2', method='CCSDTAF12', mode='CP', basis='adz', value=-91.9026)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021GLN-024LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-22.8240)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021GLN-024LYS-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021GLN-057TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.0281)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021HIE-061PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.3700)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-031HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-036VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6126)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-038VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1669)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-041PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5300)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-077LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.0631)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-088ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7781)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021LYS-032TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-11.5912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021LYS-039ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7696)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021MET-058TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.9781)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021MET-062GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8248)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021MET-069ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2373)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-025GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.2936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-038VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6905)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-054ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8837)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-060PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.9403)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-072PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.8983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-072THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8506)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-076VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2317)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-079ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-082PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.8919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-097LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6693)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-097LEU-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7874)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-113ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.1528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-131VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0244)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-251HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.2606)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-260ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021SER-142ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.9418)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021THR-148GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.1883)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021THR-150LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8471)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021TYR-088PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.6366)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ARG-072GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-106.2960)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ARG-073GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-88.2106)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-028GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=2.4470)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-046MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.0144)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-055ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=8.5328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-058GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.9804)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-147TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-5.6201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ILE-072HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1590)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ILE-074ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=1.6490)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-057THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8455)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-058PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3588)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-062ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7440)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-065LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-081LYS-2', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8112)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LYS-086ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7958)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022MET-041VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7047)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-027ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1305)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-031ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5505)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-039TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.0325)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-040ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6060)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-041PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-064VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0802)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-069VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2537)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-069VAL-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6237)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-099ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9134)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-166ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2539)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-168TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.8778)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022SER-121LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7109)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-026THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-039TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.2860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-040TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.5468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-043ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0576)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-055LEU-2', method='CCSDTAF12', mode='CP', basis='adz', value=-2.1638)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-059VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3348)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022VAL-067LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5045)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022VAL-079TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9546)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022VAL-079TYR-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ASP-027ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-106.2263)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ASP-042ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-121.1577)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ASP-057ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-115.6975)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLN-177PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.0093)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLN-217THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-6.3190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLU-028LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.2693)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLU-046LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-110.5172)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ILE-060PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6095)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-035PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-035PHE-2', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-036ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0248)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-055ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-097LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-029GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-80.3370)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-029GLU-2', method='CCSDTAF12', mode='CP', basis='adz', value=-4.5117)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-064TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-7.7687)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-064TYR-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5289)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023MET-038ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9805)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023SER-051ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=1.6121)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023THR-085ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3350)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023TYR-026LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8049)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023TYR-031TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.8741)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023VAL-041ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.2053)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023VAL-055LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7763)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ALA-034ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ARG-073ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-16.4184)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ARG-076GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-109.5464)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-027ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-25.0403)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-027LEU-2', method='CCSDTAF12', mode='CP', basis='adz', value=-2.4050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-029ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7976)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-034TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.3913)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-056PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.1272)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-058TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.7224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASP-065HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-26.7264)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024CYS-100ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.7165)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-040HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-25.2795)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-041LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0166)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-050ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.6304)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-054ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-105.4521)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ILE-055TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9563)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-028GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6501)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-028GLU-2', method='CCSDTAF12', mode='CP', basis='adz', value=-2.4826)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-029GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.0887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-031LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-032VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5294)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-054VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-260ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2378)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-261ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LYS-057TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1624)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LYS-069TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.2763)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LYS-069TYR-2', method='CCSDTAF12', mode='CP', basis='adz', value=-9.6008)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-089LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.1851)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-089THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5590)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-099TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.2794)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-100SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-130LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5094)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024SER-038THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=3.8777)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024THR-041GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.9699)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-032HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2598)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-049ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-054PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0182)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-079PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.2633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-142VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4801)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-143GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3810)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ALA-035TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ALA-037ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7423)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ASN-181ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-7.6037)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ASN-183THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-5.8579)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-029LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3657)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-036THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=1.0189)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-039TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.4773)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-260ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7180)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-274ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0570)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-028VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5622)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-036VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5997)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-056LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3447)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-059ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.0797)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-084ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.0418)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-084ILE-2', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4161)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-090ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-091VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4590)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-055VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4996)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-060PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8466)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-075ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7762)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-075ILE-2', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025SER-035ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3439)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025SER-075ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=4.1033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025SER-100ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3463)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025THR-045THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.6645)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025THR-100TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025THR-103LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-17.1936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-038MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-135ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-144LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-146PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.7873)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-152GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-22.1781)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TYR-080ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.5812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TYR-081PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.1343)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TYR-084LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6343)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-029TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9103)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-057VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6507)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-069ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-083GLU-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-185ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7578)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASN-054ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-7.7003)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASN-055ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2341)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASN-058GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-15.7704)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASP-042PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5151)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASP-077PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.7793)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLN-065HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9325)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLN-065HIE-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLU-042HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=12.8993)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLU-057TYR-2', method='CCSDTAF12', mode='CP', basis='adz', value=-25.1956)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLU-059ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-99.3151)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ILE-037TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1918)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ILE-078ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3899)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-037PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6982)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-039ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-040GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.0202)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-041VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1577)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-135ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8234)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-029PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.6422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-099ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7824)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-103HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.0835)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-168TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-030TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.0776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-036PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8989)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-118ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2322)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-217THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.3961)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026THR-031LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4475)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026TYR-062ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026TYR-069TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.0342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026VAL-041GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.4751)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026VAL-041GLU-2', method='CCSDTAF12', mode='CP', basis='adz', value=-2.2196)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ALA-074LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8602)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ALA-102ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3873)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ARG-049GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-96.7966)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ARG-055THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.3717)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ARG-094ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-97.4703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ILE-039THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6601)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ILE-046PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ILE-075LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027LYS-089LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7821)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-030ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5441)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-057VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.1560)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-069SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.1223)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-071VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0107)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-078GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.7169)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PRO-032MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027SER-034ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7085)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027THR-036SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-5.6056)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-070TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.6010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-085ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-086TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-088ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.0154)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-090THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4882)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ALA-038VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.2094)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ALA-041VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3073)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ARG-031GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-17.6395)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028GLU-072HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-24.7274)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028GLU-097LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-114.3009)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-036LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5341)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-091VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-106VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.7492)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-151VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8945)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-037VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7808)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-055LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.2909)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-058ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9074)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-059ARG-2', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8282)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-061GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-133PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LYS-067TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.7336)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LYS-317ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-21.2181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028MET-031ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.1034)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028MET-037ARG-2', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8611)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028MET-040HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.5891)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028PRO-058LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7999)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028PRO-111LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0950)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028SER-055THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.7875)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028SER-056GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.8639)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-031THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=2.2533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-036MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=1.5067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-038VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6814)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-058PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.4936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-085GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-086ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3285)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-105PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-128PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-170LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.0266)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ALA-274ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ASN-034LYS-2', method='CCSDTAF12', mode='CP', basis='adz', value=-27.2477)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ASN-179SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.1462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ASP-070ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=81.6256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029GLN-033ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=5.0279)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029GLU-045LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.4235)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029GLU-055SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-18.9551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-034VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5539)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-036PHE-2', method='CCSDTAF12', mode='CP', basis='adz', value=-2.2047)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-040GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-045GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2949)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-095TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5320)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LYS-035GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.7168)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-094LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0318)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-101TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6962)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-103HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6416)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-168TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.2858)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-177ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PRO-085GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-10.9942)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029THR-121TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6667)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029THR-121TYR-2', method='CCSDTAF12', mode='CP', basis='adz', value=-4.6070)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-302SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0520)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-305ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.7967)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-308ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-8.9465)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-315PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.1533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TYR-049GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.4406)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029VAL-036VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5454)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029VAL-054LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3083)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029VAL-087LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.0701)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ALA-274ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8805)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ASP-320ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-101.3989)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLN-034TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLN-034TRP-2', method='CCSDTAF12', mode='CP', basis='adz', value=-3.7290)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLN-036MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.2816)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-033GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-16.1592)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-034ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=67.2573)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-038PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2564)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-042PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9976)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-049PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-5.5344)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-061LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-115.2937)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ILE-034LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ILE-055ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=1.2492)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ILE-093TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1981)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LEU-034LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6294)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-078TYR-2', method='CCSDTAF12', mode='CP', basis='adz', value=-7.2524)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-083GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-119.1613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-085GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.8041)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-169THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-16.2635)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-042LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8823)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-044ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-061GLU-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4107)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-151ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.7365)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PRO-057MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.2927)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030SER-109GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-17.9208)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030THR-121LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.8990)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-033THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5655)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-036PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.5397)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-042GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-20.8823)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-046LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.0218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-073PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-079LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5475)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-103PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.7901)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-171THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8707)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-176SER-2', method='CCSDTAF12', mode='CP', basis='adz', value=-5.8963)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-212GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-18.1183)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-213GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-5.1227)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-216SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2851)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-217THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1593)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030VAL-033VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.0914)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030VAL-044LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5744)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030VAL-050ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8596)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ALA-088VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3764)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ASP-034HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=19.7474)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-035LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-037SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-5.9293)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-109LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7014)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-125LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-128GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-15.5612)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ILE-034ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6137)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ILE-097TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2259)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ILE-246ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.1906)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-091LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4237)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-125LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-168LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7267)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-213GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.7348)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-060THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9282)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-061ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2124)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-062HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4757)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-076ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6091)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-092TRP-2', method='CCSDTAF12', mode='CP', basis='adz', value=-3.0704)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-095TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.5706)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PRO-097VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031THR-085GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-17.2649)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031THR-128PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7134)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-060ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-23.6254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-164VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.0081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-168GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.5934)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-168GLN-2', method='CCSDTAF12', mode='CP', basis='adz', value=-3.4498)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-171ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4347)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TYR-037PHE-2', method='CCSDTAF12', mode='CP', basis='adz', value=-3.1562)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TYR-048HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.7059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TYR-051GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.5932)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-056PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9339)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-068LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0209)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-071VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6941)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-073VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6307)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-077ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1706)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032ASP-040HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.9068)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLN-116ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-21.3349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLU-035ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-115.2176)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLU-169THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.4596)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLU-169THR-2', method='CCSDTAF12', mode='CP', basis='adz', value=-17.1693)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032ILE-036GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8376)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032ILE-065LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.7566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-080GLU-2', method='CCSDTAF12', mode='CP', basis='adz', value=-107.7013)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-083LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-091LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.7242)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-091LEU-2', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6309)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032PHE-058ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.3559)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032PHE-081VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9322)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032PHE-095LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.1521)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032SER-057GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-16.4398)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032THR-093LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7555)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032THR-094LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9736)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032THR-128LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4162)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-062ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.9145)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-073PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.3991)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-074VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-083ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-7.7614)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-042ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.4066)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-052VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2773)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-056HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9117)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-068LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5212)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-080ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.2363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-100VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3154)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ARG-189PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.3386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ARG-191LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ARG-191LEU-2', method='CCSDTAF12', mode='CP', basis='adz', value=-2.3050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ASP-276SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-17.6980)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ASP-279LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-122.1438)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ASP-279LYS-2', method='CCSDTAF12', mode='CP', basis='adz', value=-3.8229)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033CYS-047TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.5311)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033GLN-092ASN-2', method='CCSDTAF12', mode='CP', basis='adz', value=-8.0427)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033GLU-036ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-117.0817)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033HIE-060MET-2', method='CCSDTAF12', mode='CP', basis='adz', value=-2.4775)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033HIE-062THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=4.4678)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ILE-037ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.0109)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ILE-061VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6875)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-053VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7832)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-059ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8999)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-061PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0482)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-089ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7653)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033PHE-058PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1821)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033THR-100GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.0811)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-062HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.0907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-091ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-8.3920)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-094ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-094ILE-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4900)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033VAL-048ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8787)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033VAL-055VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3557)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033VAL-091ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7197)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ALA-133LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9482)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ALA-152GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.1641)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ARG-060TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-15.9801)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ARG-064LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8973)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASN-076SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7163)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASN-078TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.2920)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASP-037PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.0056)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASP-061ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-82.2721)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034HIE-057HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ILE-037TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5352)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LEU-038TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3058)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LEU-044TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5717)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-068GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-108.8299)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-070TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-070TRP-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1360)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-086TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7276)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-086TYR-2', method='CCSDTAF12', mode='CP', basis='adz', value=-6.8901)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-045TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.9919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-058CYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.0195)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-062HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0042)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-069MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.3199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-072LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9734)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-100VAL-2', method='CCSDTAF12', mode='CP', basis='adz', value=-2.5447)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PRO-065ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8433)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PRO-075PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034SER-105LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6245)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TRP-037TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.2847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-136ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2764)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-143MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.1907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-148VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6621)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-277TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.4170)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-046LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4853)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-048PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7736)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-072VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4647)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-077LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3419)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-111LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ALA-065LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8750)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ALA-067ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.1317)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ARG-041THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-13.2665)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ARG-042VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ASN-172GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-10.6707)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ASN-174TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3327)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ASP-046ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-98.9600)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035CYS-038CYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=2.3902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035CYS-154THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.5878)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035GLU-189PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4628)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035HIE-059ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1695)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035HIE-059ARG-2', method='CCSDTAF12', mode='CP', basis='adz', value=-6.3212)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035HIE-061ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.4355)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LEU-061PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8679)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LEU-085LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5118)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LYS-083TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.4464)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LYS-090GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-6.1633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-047TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.5837)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-062THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.9912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-097LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4625)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-111PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.3300)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-128PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.7468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035THR-112LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8115)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-045HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-058PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.3268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-064ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9338)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-157VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-161LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-16.6085)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ARG-042GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-109.9817)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ARG-162GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-18.9310)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036CYS-039CYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.0735)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLN-040HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.2281)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLN-105LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5802)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-039ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-118.9653)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-039LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-113.9658)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-045LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2150)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-053VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6764)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-056ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-81.6835)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036HIE-063LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.9543)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ILE-040THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8805)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ILE-061ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8116)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ILE-063TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8378)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-039MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0043)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-041ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4529)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-046PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-046PHE-2', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7555)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-047TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.1459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-098ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6337)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036MET-049LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.1421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036MET-054VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=3.1141)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036PHE-075SER-2', method='CCSDTAF12', mode='CP', basis='adz', value=-2.3241)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036PHE-113ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-5.3664)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036PHE-303TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8605)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036SER-069THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.2731)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036THR-090GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-19.5144)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036THR-104MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9970)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036THR-133PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6324)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036TRP-047PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2484)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036TRP-049PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.1654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036VAL-060TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4858)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036VAL-070TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.3860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036VAL-086TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9495)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ALA-056ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4492)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ARG-152GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-119.3678)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASN-040THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=3.0345)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASN-067GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-6.2279)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASP-040ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-79.7425)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASP-064TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-18.7428)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037HIE-050GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-24.3179)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-116PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-125LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9049)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-162PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6934)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-165VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4062)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037LYS-162PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1160)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037PHE-048HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8814)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037SER-043ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-6.3244)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037THR-053ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.5621)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037THR-085LYS-2', method='CCSDTAF12', mode='CP', basis='adz', value=0.7332)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-050ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.6585)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-053LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3438)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-055LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-15.0712)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-055LYS-2', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9781)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-046THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1358)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-050LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.9383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-066LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1397)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-068VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0697)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ASN-199LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ASN-202PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.2674)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038CYS-095PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038GLN-042ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-21.7548)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ILE-085ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6457)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ILE-094LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.0536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-045PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-047TYR-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-054LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5697)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-109SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7066)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-109VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.2144)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LYS-047PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.3780)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038MET-041LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5223)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038MET-146PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.6031)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-042PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.3621)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-042VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.1415)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-046ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.3294)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-049PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6145)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-061VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8193)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-061VAL-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3324)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-101PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1385)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PRO-108ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.9601)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038THR-053PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9492)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-063TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-5.2072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-065PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.9654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-068TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.3883)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-073ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6369)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-078ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-081TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.0890)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-082ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4473)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-132ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2594)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TYR-060TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.0171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-041VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.2560)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-072PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-082PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8766)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-083ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.2226)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ALA-095PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.3446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ARG-043ASN-2', method='CCSDTAF12', mode='CP', basis='adz', value=4.9518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASN-042ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-22.0743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASN-081SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8100)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASN-083TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1042)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASP-057THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-17.3708)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039GLN-047ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-16.3047)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039HIE-057HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=8.5151)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-054LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0739)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-055TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1680)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-108ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8755)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-109CYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=2.1695)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039LYS-043HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1546)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039PRO-165PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.4641)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039PRO-166ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6237)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039PRO-199LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3108)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039SER-054GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-17.8882)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039SER-067GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-19.2320)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-046THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-5.2852)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-077LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3366)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-079LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8686)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-083VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3770)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-052SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.1655)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-064VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2259)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-066LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.0610)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-066LEU-2', method='CCSDTAF12', mode='CP', basis='adz', value=-2.3182)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TYR-043ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.8336)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039VAL-083TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.1354)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASN-073PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.0040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASN-077TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.4935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASN-090ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-10.5971)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASP-065THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=2.0909)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040GLU-045GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-18.9543)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040HIE-103HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-10.1531)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040HIE-105LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.0665)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ILE-054VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4621)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ILE-057LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6622)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040LEU-063TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1231)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040MET-085ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.4894)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040PHE-052TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.5134)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040PHE-116PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.3502)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040PHE-133PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.9511)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-044TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4434)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-048VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-162GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7088)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-186TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7178)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-270TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7568)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-052GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.4592)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-055LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7441)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-121ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.4388)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-121ILE-2', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-122THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.4640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-045TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.8571)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-055VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1070)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-076VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3012)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-079ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6641)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-082PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2099)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040VAL-063VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3995)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ALA-047TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.5531)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ALA-081GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0642)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ALA-121ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4017)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ARG-051PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.7267)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ASP-084ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-92.9044)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041GLU-045LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-107.9697)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-058ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.0922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-061PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7738)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-107PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-107PHE-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4358)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-146PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-155PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9000)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-162PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.1057)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-170TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7403)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LYS-045GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LYS-107PHE-2', method='CCSDTAF12', mode='CP', basis='adz', value=-2.5308)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LYS-110SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-19.1131)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-047SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7311)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-054HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.8046)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-073ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7339)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-077LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9590)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-094LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-6.7654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-094LYS-2', method='CCSDTAF12', mode='CP', basis='adz', value=-2.4113)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-104VAL-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.9011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041VAL-059LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7845)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041VAL-064LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.2570)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ALA-082ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.2266)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ASP-045THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-19.6545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-095PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-5.3444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-101PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.4769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-103PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-6.8641)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-121ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.9222)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ILE-049PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ILE-052PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ILE-056PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.9929)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-047ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-048ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0877)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-048VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-103HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8622)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-105LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5259)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LYS-049GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-123.5477)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-049PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5883)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-054PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.2460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-056SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-061LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7093)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-064LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3397)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-074LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.2738)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-077PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8065)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-085PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7725)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-087LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2924)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-088ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.7759)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-089ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2397)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-089MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.0218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-092TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.8637)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-101VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0347)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042SER-058ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042SER-062ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=3.6650)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042THR-052ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.6100)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042TRP-049ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-12.7700)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ALA-073PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5784)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ALA-077TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ASP-054HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-25.4035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ASP-058ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-119.6629)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ASP-062TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.2059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043GLU-104ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.3039)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ILE-055LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.0081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-050PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8758)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-055THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5690)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-071PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-114SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-161TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.2553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043MET-048ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5375)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043MET-060VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7244)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043PHE-065PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8375)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043PHE-068TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.1682)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043PHE-073PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5483)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043THR-059LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5002)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-048GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.7895)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-049THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2794)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-068LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.3888)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-185HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.0868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-186TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.6772)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043VAL-066LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3237)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043VAL-069VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7155)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ALA-052ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0954)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ASN-048THR-2', method='CCSDTAF12', mode='CP', basis='adz', value=-5.6639)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ASN-059THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.2938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044GLN-061LYS-2', method='CCSDTAF12', mode='CP', basis='adz', value=-28.3304)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044GLU-084ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-95.2177)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044HIE-067HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.9852)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044HIE-073TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.8428)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044HIE-086GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-25.5592)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ILE-101HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5083)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-079VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4420)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-101ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5499)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-272GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.2009)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-272GLN-2', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9999)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044MET-061VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7147)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044PHE-048LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2949)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044PHE-130VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.2028)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044PRO-053ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.8481)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044SER-093ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-14.3454)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044SER-118ARG-2', method='CCSDTAF12', mode='CP', basis='adz', value=-10.7869)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044THR-118TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3395)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TRP-048TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.7996)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TRP-085PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.4965)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TRP-147TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6226)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-048LYS-2', method='CCSDTAF12', mode='CP', basis='adz', value=-15.9486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-059ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2690)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-077LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6764)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-109LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5197)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044VAL-174MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045ALA-054HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7810)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045ALA-071HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.3306)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045ASP-081GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=88.9413)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045GLN-062LYS-2', method='CCSDTAF12', mode='CP', basis='adz', value=-24.5039)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045HIE-051GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-23.6897)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045HIE-053ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.2367)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-049GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.1581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-049TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.0106)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-054PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1747)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-055ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.9015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-070PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1807)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-097LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LYS-048GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.7530)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LYS-084GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-72.3860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-057GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-7.8313)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-061VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6053)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-066PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.0128)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-075LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-10.1885)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PRO-080VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5236)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PRO-100VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6476)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-048ALA-2', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6530)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-066VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5105)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-097SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4639)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-168LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1793)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-048ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9801)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-049ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-100VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-272GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.9498)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TYR-053THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.1770)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-050ASP-2', method='CCSDTAF12', mode='CP', basis='adz', value=-95.8218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-092TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.6800)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-182GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-77.0824)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-273GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-114.6587)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ASP-083ASP-2', method='CCSDTAF12', mode='CP', basis='adz', value=55.2411)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ILE-071GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7109)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ILE-074LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=10.3022)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046LEU-068ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046LEU-103PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0992)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-050LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.0214)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-084LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.9554)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-088MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.9499)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-107PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.9442)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-119GLN-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0719)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-121LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8900)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-161TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.4250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PRO-140ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5089)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PRO-141ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9078)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046SER-054PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.4663)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046SER-088ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-6.0861)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046THR-069ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.2037)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046VAL-094PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9598)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ARG-050GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-82.1578)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ARG-059MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ASN-062LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ASN-276PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2023)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ILE-064LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047LEU-055LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3442)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047LYS-059ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-114.3691)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047PRO-164TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.0434)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047SER-065PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1873)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TRP-081GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-9.5447)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TRP-083TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.2001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-052PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3086)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-053ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=1.2378)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-055ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2461)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-058TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.4112)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-075ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.0354)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-077HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0176)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-111PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8378)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-136TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=2.6079)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ARG-060MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ASN-052ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.8681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ASP-081THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-19.7710)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ASP-131LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-115.6039)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048GLN-070SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0038)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-052PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5657)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-091ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-6.4644)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-099HIE-2', method='CCSDTAF12', mode='CP', basis='adz', value=-3.1025)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-174MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.9344)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-178ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-26.6084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ILE-052ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ILE-272GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0042)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ILE-279ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0376)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-070PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-070PHE-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-074TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-074TYR-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6609)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-077GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7534)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-141PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4127)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LYS-082ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8832)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LYS-098GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-110.5365)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048PHE-058PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.0118)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048PHE-101LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7524)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048PHE-105TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.9198)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048VAL-093THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.2349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048VAL-095LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6405)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048VAL-099ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7905)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ALA-092TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3505)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ARG-167GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-21.0411)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049GLU-080ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-92.8160)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ILE-059ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.4693)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ILE-070PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0821)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ILE-100VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LEU-054VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4855)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LEU-107PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7789)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LYS-121LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9091)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LYS-158ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-6.7617)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-056PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8130)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-057GLN-2', method='CCSDTAF12', mode='CP', basis='adz', value=-3.4516)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-091ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2433)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-093VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.9841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PRO-052TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1070)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049THR-053LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049TYR-054PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4797)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049TYR-098GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=3.3344)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049TYR-102ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.5789)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-053THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6607)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-124GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7653)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-127LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2864)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-131VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7017)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ALA-081PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1056)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ARG-054THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-12.2018)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASN-083TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4498)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASP-053THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-19.0581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASP-067PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.9626)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASP-092TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-24.3542)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050GLN-055TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-5.9540)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050HIE-065PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.4716)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050HIE-087TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-10.9544)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ILE-053ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6645)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ILE-071PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8813)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ILE-079VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.1399)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050LYS-056GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-112.1422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PHE-071PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PRO-053TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7024)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PRO-058PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.9329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PRO-096TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.0911)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050SER-066PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2139)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050THR-143THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.2782)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050TRP-054GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-6.8295)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050VAL-054THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=1.6151)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051CYS-154LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-7.9983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051CYS-156THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=1.8291)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLN-089GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-5.5589)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLN-089GLU-2', method='CCSDTAF12', mode='CP', basis='adz', value=-24.8452)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLN-098TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.5895)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLU-056MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLU-056MET-2', method='CCSDTAF12', mode='CP', basis='adz', value=-3.4498)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051HIE-277ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-24.0760)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051ILE-068LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1283)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-055ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.0047)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-080ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.0188)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-096TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.0115)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-131LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0529)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-058VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-091ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-5.7899)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-091ARG-2', method='CCSDTAF12', mode='CP', basis='adz', value=-2.0290)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-175PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4411)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051THR-152PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3027)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-093VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6370)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-095LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-097ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-7.5968)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-097ARG-2', method='CCSDTAF12', mode='CP', basis='adz', value=-2.5289)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-107PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.4881)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051VAL-071ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7339)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051VAL-104ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5388)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ASN-061ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-7.1268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ASN-143THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=1.6246)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052GLN-069ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-10.1121)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052GLN-117PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1867)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ILE-056GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ILE-087VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.1081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ILE-100VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.2544)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-060LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5358)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-062PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6898)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-062PHE-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6991)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-070PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9435)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-141PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4882)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-152PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8149)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-056MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.1227)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-061CYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4129)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-071PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4375)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-073THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-075ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4619)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-111PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4641)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-141MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.5453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-148ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-157ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PRO-109LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7088)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052SER-063PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2147)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052TYR-058PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.9042)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052TYR-061ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-24.9961)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052TYR-116PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.0986)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052VAL-057SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ASN-063SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.4421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ASN-131VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4933)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ASP-058TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-066LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.1414)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-069PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3023)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-075LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.2178)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-077LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7711)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053LEU-057PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053LEU-091ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7508)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053MET-140ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-6.1465)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053SER-089GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-19.8463)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-059LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-083ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-25.6271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-092TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.6865)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-094LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.1683)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-142ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4664)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-169MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.8934)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-057ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.3821)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-068PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5943)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-074ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-117PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054ASN-069PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.8067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054ASN-141ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=1.8354)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054GLU-057ARG-2', method='CCSDTAF12', mode='CP', basis='adz', value=-94.2394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054GLU-058ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-118.2183)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054GLU-141GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-13.4582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054ILE-074ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.2430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-061LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9484)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-063PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5521)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-069VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4601)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-091LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-091LEU-2', method='CCSDTAF12', mode='CP', basis='adz', value=0.3115)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054PHE-101ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054THR-057ASP-2', method='CCSDTAF12', mode='CP', basis='adz', value=0.9965)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054VAL-091ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.2368)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054VAL-097ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5317)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASN-058GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-5.4664)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASN-058TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.9110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-069ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-118.2946)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-104LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-86.7722)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-105TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-10.7945)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-185ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-112.4904)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055GLN-272GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=5.7168)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055GLU-121LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1511)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-059ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8099)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-061CYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-151THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1105)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-155ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=1.0985)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055LEU-060VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8255)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055PHE-139ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055PHE-141GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055PHE-141GLN-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.9979)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055SER-071PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6959)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055SER-152PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.0090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055THR-072THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.3051)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055VAL-059ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6284)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ALA-061VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5690)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ALA-175PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9138)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ARG-061LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4630)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056HIE-287LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1586)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056HIE-287LEU-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4624)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ILE-059PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4512)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ILE-059PHE-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4096)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056LEU-069LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5180)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056LYS-160ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-109.9179)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056MET-059MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6131)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056MET-181ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0037)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056PHE-062PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6085)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056PHE-129PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.1359)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056PHE-152PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4229)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056SER-076LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5932)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056TYR-062TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.1961)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056TYR-064VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.2778)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056TYR-084ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.1445)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057ARG-067VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5666)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057GLU-061ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-88.9386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057MET-060MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3057)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-060LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3686)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-066ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4039)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-098VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8280)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-116PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3605)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-163ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3834)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PRO-063TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7559)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057TYR-091LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.9486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057VAL-084ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.6578)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057VAL-084ASP-2', method='CCSDTAF12', mode='CP', basis='adz', value=-2.3933)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057VAL-181ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2885)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ARG-062LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0049)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ARG-141GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-10.3086)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ASP-279LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-108.9897)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058GLN-067PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7883)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058GLN-067PHE-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2348)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058HIE-067GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8726)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058HIE-115GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.4252)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ILE-097TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.0119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LEU-071VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LEU-084LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.1969)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LEU-094GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8851)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LYS-122VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.4325)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-062ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0708)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-062TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.9566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-070TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.3995)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-081PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.5688)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-101ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.4091)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-131VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6709)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TRP-084SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.7060)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TRP-180SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2749)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-062GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-062GLN-2', method='CCSDTAF12', mode='CP', basis='adz', value=-2.7271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-062LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-8.7054)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-066VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8595)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-068ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8325)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-077ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2861)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058VAL-085ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ARG-065MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7042)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ARG-067GLN-2', method='CCSDTAF12', mode='CP', basis='adz', value=-23.5402)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ASN-062LYS-2', method='CCSDTAF12', mode='CP', basis='adz', value=-27.6009)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ILE-068ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8049)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ILE-094LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6824)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LEU-117VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9099)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LEU-117VAL-2', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3575)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LEU-119GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8044)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LYS-063ASP-2', method='CCSDTAF12', mode='CP', basis='adz', value=-116.3330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LYS-075TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-7.6223)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LYS-135ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.6809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-063ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.0851)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-118THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4745)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-120TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.0822)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-127ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0565)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059THR-088TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1708)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059VAL-084LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0626)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059VAL-136TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6516)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060ALA-081LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060ASP-165ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=77.2596)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-068PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7708)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-095PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0673)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-095PHE-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0642)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-098VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5588)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-120VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2305)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-152PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060MET-070GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.4263)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060THR-087LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-18.0104)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060THR-176ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-12.9292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060TYR-064LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060TYR-128PRO-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8375)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060VAL-063TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2745)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060VAL-157PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9532)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ALA-080ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.2448)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ARG-083GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.7434)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ARG-083GLU-2', method='CCSDTAF12', mode='CP', basis='adz', value=-91.9958)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ARG-084LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5691)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ASN-065ASN-2', method='CCSDTAF12', mode='CP', basis='adz', value=-5.0327)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ASP-065LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-6.8090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-080ARG-2', method='CCSDTAF12', mode='CP', basis='adz', value=-78.3155)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-088PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-5.4042)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-142MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-8.3044)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-145LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.9085)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-064PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-086ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2555)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-089MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4813)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-091ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.1457)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-092TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4990)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-098LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8727)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-155ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.8276)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061LEU-065MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6664)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061LEU-079ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4675)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-068VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-086VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3007)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-086VAL-2', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8590)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-099ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.6025)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-117VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8790)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PRO-088PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5714)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061THR-081THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4227)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061THR-083GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-16.1085)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061TYR-066LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.4753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061VAL-064TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5022)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061VAL-066VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.2066)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061VAL-068ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0331)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ALA-070MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4076)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ASP-080ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-86.9810)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-110GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-6.8487)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-112PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6451)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-171PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=1.6169)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-173TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.8613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-173TYR-2', method='CCSDTAF12', mode='CP', basis='adz', value=-2.0637)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-070GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-8.1041)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-072LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1098)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-073TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=3.6405)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-076ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8710)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-067ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3903)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-069TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.3812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-105TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6124)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-107PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9745)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LEU-075ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4089)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LEU-077ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LEU-079LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6176)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LYS-067PHE-2', method='CCSDTAF12', mode='CP', basis='adz', value=-2.0760)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LYS-147GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.6358)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062PHE-120TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.1306)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062PHE-128PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.2251)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062THR-099ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-9.9893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062THR-102HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4846)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TRP-073ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.0064)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TRP-164PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.7717)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TRP-166PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4104)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-077PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.6790)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-083GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-22.7271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-084ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2792)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-093ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6461)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-095TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.6081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063ASN-081THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.4003)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063GLN-067ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=12.2473)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063GLN-136TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.8251)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063GLN-165ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-10.1246)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063ILE-077LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4140)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063LEU-068HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6137)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063LEU-108LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6740)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063LEU-140LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3115)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-090GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8624)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-090GLN-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-091ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0331)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-094VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0955)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063THR-092TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7278)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-081TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.8271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-085MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.7375)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-098LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-136PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7534)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063VAL-067LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5979)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063VAL-154THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6527)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064GLU-111TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7336)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-072PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5299)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-084TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.2216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-084TYR-2', method='CCSDTAF12', mode='CP', basis='adz', value=-3.4421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-090TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2989)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064PHE-097PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4687)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064PHE-123THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064PHE-125TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.3867)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064SER-171PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=1.3765)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064THR-116PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9255)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-068LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-5.3587)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-078PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.8050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-082VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3454)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-083LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1311)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-164PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.0535)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064VAL-073ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.2453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064VAL-143GLN-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.9829)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065ALA-070PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8560)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065ASN-110GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.5833)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065ASP-110GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-5.4672)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065GLN-088TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4849)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065LEU-077VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6894)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065LEU-080VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1570)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065MET-117PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.4814)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065PHE-095LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8261)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065PRO-101LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6622)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065PRO-111TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.2228)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065SER-068TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.2771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065SER-108TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.1701)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065THR-069ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6498)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065THR-082LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3402)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065TRP-146THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065TRP-154THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065TYR-090PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.1525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ALA-084ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4297)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ALA-136TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4461)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ARG-167GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-118.5170)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ASP-069ARG-2', method='CCSDTAF12', mode='CP', basis='adz', value=-93.5228)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066GLN-070ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.9887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066HIE-069GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.8839)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ILE-146VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066LEU-073PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1445)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066LEU-138THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066PHE-075LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9170)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066PHE-109SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066PRO-095TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.6533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066TRP-109TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.9679)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066TRP-110PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.1064)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066VAL-085ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.0814)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067ARG-077ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.0768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067ASP-070ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.5348)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067GLN-115GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-6.0629)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067GLN-117PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.8037)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067GLU-139TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.1979)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067HIE-070HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.9799)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067HIE-086GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.7359)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067LEU-078LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8104)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067LEU-107LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7587)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067LEU-109VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5942)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067PRO-095TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.9203)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067PRO-101ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7078)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067SER-073TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7131)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067THR-080TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067THR-082VAL-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0129)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067VAL-085ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=1.5748)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ARG-072THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-12.5157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068HIE-075LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-10.7391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068HIE-080GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=1.2526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068HIE-123ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-25.8980)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ILE-072LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.3156)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ILE-084TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.0256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ILE-091LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.1526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068LEU-081VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5745)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068LEU-146PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2609)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068MET-131LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.1526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-076LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.1801)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-076LEU-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-077ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7027)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-077VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9113)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-080LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9824)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-080VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0900)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-083LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9313)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-110LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8995)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068TYR-073ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0597)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068TYR-078ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.4894)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068TYR-082HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069ARG-075ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.1425)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069ASN-119VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8408)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-076ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0679)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-076ILE-2', method='CCSDTAF12', mode='CP', basis='adz', value=-6.7778)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-078ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-117.4825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-123ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=61.3417)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069HIE-075ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8214)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069HIE-078PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.4433)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069ILE-101ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.3629)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069PHE-078GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-6.1515)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069PHE-080TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.5318)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069PHE-166TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=1.3304)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069THR-080LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5943)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-073TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.8843)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-086GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1986)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-086ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6758)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-114VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5310)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070ASN-080GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=7.2652)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070ASP-076THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-15.2820)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070GLU-073LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.1512)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070GLU-073LYS-2', method='CCSDTAF12', mode='CP', basis='adz', value=-92.6523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070MET-075ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1354)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070PHE-120TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.8488)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070SER-082VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070THR-120ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=5.3293)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070THR-124THR-2', method='CCSDTAF12', mode='CP', basis='adz', value=-4.7384)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070TRP-084VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070TRP-138LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.6286)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070TRP-174PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.5100)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071ASP-074LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.1601)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071LYS-195ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.4707)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-080ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0980)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-080LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0697)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-086ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6396)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-108ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1306)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-114SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4491)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071SER-082HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-5.6846)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-076LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3723)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-078GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-5.1201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-099TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-6.8564)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-100SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.0711)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-125PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.4171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-165ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3448)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-166TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.4288)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-077ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4511)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-083ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5372)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-085ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4166)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-119VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.0053)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ARG-116ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-94.0369)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ARG-118TYR-2', method='CCSDTAF12', mode='CP', basis='adz', value=-6.1488)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ASN-075ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-18.6535)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072HIE-093TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.1998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072HIE-095PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.3027)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-077PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5019)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-082HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.9175)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-116PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-116PHE-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072THR-175GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9832)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072TYR-076ARG-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5340)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072TYR-127ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6911)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072VAL-176PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ARG-076LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.4329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ARG-119ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-102.9469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ARG-163ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5897)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ASP-135ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-111.1889)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ASP-193VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.4982)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073GLU-077ASN-2', method='CCSDTAF12', mode='CP', basis='adz', value=0.1077)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073GLU-119SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-19.1955)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ILE-128ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0826)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073LEU-120TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0331)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073PHE-077TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.8320)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073PHE-079LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8212)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073SER-090SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6246)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073SER-178SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3711)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073TRP-089TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.5843)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073VAL-111ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1305)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ALA-083TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0039)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-130TYR-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4587)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-135SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3807)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-135SER-2', method='CCSDTAF12', mode='CP', basis='adz', value=-12.5010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-136GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.7620)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-147TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8822)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-147TYR-2', method='CCSDTAF12', mode='CP', basis='adz', value=-6.1965)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074GLN-094ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-5.8989)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074GLU-096ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-61.6788)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LEU-079TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2264)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LEU-102PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4213)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LEU-107PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.5333)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LYS-127ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6932)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074PHE-080LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.4767)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074PHE-083HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.9852)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074SER-091PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7777)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074SER-111GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-20.7823)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074VAL-080TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.5570)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074VAL-083ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9231)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074VAL-190LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4549)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075GLU-079GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-12.7847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075GLU-079GLU-2', method='CCSDTAF12', mode='CP', basis='adz', value=75.5545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075ILE-080ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7803)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075ILE-112LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5127)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075LEU-094ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6064)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075LEU-111LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3679)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075LEU-111LEU-2', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3911)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075PHE-093PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8062)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075PHE-182ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.3185)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075PHE-184PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4313)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075SER-078TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5591)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075SER-111ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-17.1300)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075TRP-176ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.7689)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-079GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-96.8203)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-120TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.8575)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-208TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8709)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-208TYR-2', method='CCSDTAF12', mode='CP', basis='adz', value=-6.1956)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-084LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9979)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-089TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-26.0525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-091PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4520)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-188GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-20.5432)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076GLU-170LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.8949)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ILE-094ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4562)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076LEU-086MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.2164)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076LEU-117ILE-2', method='CCSDTAF12', mode='CP', basis='adz', value=-0.0756)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076LEU-123THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5331)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076PRO-111TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076PRO-112LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.0705)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076SER-082PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5660)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076THR-090SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-5.4490)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-125ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.5144)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-125ILE-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3971)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-136TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.9765)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-139ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.2668)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-143TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-5.5152)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ALA-096ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1914)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ALA-138ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5076)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ALA-138ARG-2', method='CCSDTAF12', mode='CP', basis='adz', value=-0.1953)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ASP-080ARG-2', method='CCSDTAF12', mode='CP', basis='adz', value=-85.4786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077HIE-111LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1024)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-102PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0017)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-112ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8395)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-125VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1643)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-128TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1657)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-128TYR-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5932)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077LEU-093VAL-2', method='CCSDTAF12', mode='CP', basis='adz', value=-0.1520)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077LYS-178VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.5949)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077LYS-186ASN-2', method='CCSDTAF12', mode='CP', basis='adz', value=-19.4505)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-089PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.6873)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-093ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.0482)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-097LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6088)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-116PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8741)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-160VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7978)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-162PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3658)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-201ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-6.6269)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-205GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-8.8795)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078ALA-126VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5682)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078ASP-157LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-104.3999)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLN-085LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4995)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLN-088GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-20.9249)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLU-099THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.2707)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLU-127GLN-2', method='CCSDTAF12', mode='CP', basis='adz', value=-23.5690)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078HIE-081PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7214)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078LEU-108VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.2073)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-082VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2344)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-096ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0864)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-104TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.6453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-107ALA-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0095)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-108LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2138)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-179LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.1621)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-215ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0679)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-218LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8845)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-218LEU-2', method='CCSDTAF12', mode='CP', basis='adz', value=0.1428)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PRO-115PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5474)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PRO-186ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.7103)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078SER-184PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.8537)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078TYR-082PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.1061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ARG-083ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-98.1510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ARG-182ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-110.8322)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ASP-131HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-27.6831)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ASP-135ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.9796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079PHE-089PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079PHE-100THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.9036)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079PHE-104LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4476)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079SER-088ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8150)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079SER-208TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079THR-089LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079THR-089LEU-2', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079THR-110THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-5.3248)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-084PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.5264)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-109VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8898)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-112LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7921)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-112LEU-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1315)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-146PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.6429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-153TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8946)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-167GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=1.3342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079VAL-087LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3563)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079VAL-094ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3770)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ARG-088PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-5.0934)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ARG-090ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.4343)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ASP-087LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-112.3729)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080GLU-092ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.3113)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080GLU-155ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-119.4624)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ILE-112LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5562)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080PHE-085LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.1689)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080PHE-098SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6403)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080PHE-166PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080THR-090ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.1690)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-088LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-090TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.3401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-095ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.1689)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-108LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.6301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-136ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5680)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TYR-129TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.5398)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TYR-172GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=1.0793)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ALA-088ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8440)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASN-084LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.9371)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASN-085SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASN-100TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-6.2370)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASP-092SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-18.9125)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLN-085ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-22.4875)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLU-101ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=5.5045)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLU-103GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6637)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLU-103GLN-2', method='CCSDTAF12', mode='CP', basis='adz', value=-14.0049)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081HIE-202PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.1464)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ILE-085ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.7576)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081LYS-105VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.1229)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-106CYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=12.8631)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-134GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5759)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-134GLU-2', method='CCSDTAF12', mode='CP', basis='adz', value=-8.9486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-138ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-5.0967)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081SER-087PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5144)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081TYR-085ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.1332)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081TYR-130VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081VAL-105TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8731)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081VAL-149HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4323)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ARG-088PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.0751)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ARG-088PHE-2', method='CCSDTAF12', mode='CP', basis='adz', value=-4.7535)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-121LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5673)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-135ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-136PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5960)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-186VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9563)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082LEU-176PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082PHE-091ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.8786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082PHE-102TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.0359)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082PHE-104VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0080)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-108LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4602)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-126SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5870)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-127PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.9220)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-130VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ASP-089HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-23.5214)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ASP-105TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=3.5666)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ASP-136ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-94.1666)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083GLU-094TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-7.4711)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083HIE-086GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-25.5574)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083HIE-089ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-25.3250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ILE-155ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7473)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ILE-173LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5166)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-087LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2870)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-088TYR-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-101GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0000)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-108VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083THR-086MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.6987)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083THR-087GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3465)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083TYR-087PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.2260)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083TYR-094TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5106)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083TYR-096ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8452)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-087LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8326)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-094PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-094PHE-2', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8130)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-103TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6504)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-140TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0678)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-153PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.2848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ARG-089ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-87.7336)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASN-099LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5029)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASN-103TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-8.4223)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASP-087PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.6556)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASP-107ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-14.1124)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASP-126VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.5035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084CYS-090LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-11.0210)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084LEU-090LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084PRO-122PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3380)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084PRO-135PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5415)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084THR-107PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.9556)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084THR-108TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9036)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084TYR-089ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.5734)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084TYR-095LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3795)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085ASN-099TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5802)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085HIE-094TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.0736)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085HIE-101TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.8323)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085ILE-089ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5063)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085ILE-103LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3626)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-094PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-108LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5023)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-137ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2185)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-138LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8002)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LYS-088GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-111.6028)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LYS-094TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.3736)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085MET-136PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1586)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085PRO-090LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085TRP-089ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.1809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085TRP-135LYS-2', method='CCSDTAF12', mode='CP', basis='adz', value=-7.4508)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ALA-101GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8487)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ALA-104TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9934)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ALA-136PHE-2', method='CCSDTAF12', mode='CP', basis='adz', value=-2.2239)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-091ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-6.3535)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-092TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-6.7778)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-112TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-11.0950)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-115ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-112.1473)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086HIE-089GLU-2', method='CCSDTAF12', mode='CP', basis='adz', value=14.3324)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086PRO-090ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086SER-136TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.5454)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086VAL-105LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086VAL-116VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6758)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087ALA-171PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.0684)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087ALA-173TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4457)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087ASN-091LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=3.4184)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087CYS-119ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=6.3306)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087CYS-121LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.2941)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087GLN-139ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-6.6241)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-095PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5144)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-095PHE-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2399)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-096TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1466)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-109VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4989)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-153PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.2437)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087PHE-126VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7933)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087PHE-186VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5707)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087PHE-188VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0757)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087VAL-102LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.0444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088ASN-092ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4647)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088ILE-135LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.2735)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088ILE-135PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4965)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088LEU-108ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6275)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088PHE-092LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0145)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ARG-106ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-92.6077)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ARG-108TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-12.3722)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ARG-131VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.3966)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ASP-092PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-5.3599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ASP-112ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-14.0230)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ASP-131VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.5741)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089CYS-105LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4476)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089GLN-117PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.0854)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089GLN-125TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6968)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ILE-112TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8013)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089LEU-127VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089THR-098LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089THR-098LEU-2', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6318)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089TYR-094TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7016)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089TYR-153VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6451)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ALA-121PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ARG-187SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-8.0350)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090GLU-119ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-101.7814)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ILE-099LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ILE-107SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1590)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ILE-190VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090LYS-122ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-5.8141)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090LYS-122ASP-2', method='CCSDTAF12', mode='CP', basis='adz', value=-3.8101)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090PRO-129TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7078)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090PRO-154VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5688)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-095ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-8.5016)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-095ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3718)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-099ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-105LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-112GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=5.7825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-113ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.4325)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091ASN-096TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-7.2240)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-098SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.6212)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-118THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-118THR-2', method='CCSDTAF12', mode='CP', basis='adz', value=-2.6528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-121LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.1379)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-122ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=11.1767)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-125HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-127VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9882)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091LYS-140SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091LYS-140SER-2', method='CCSDTAF12', mode='CP', basis='adz', value=-16.9573)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091THR-094HIE-2', method='CCSDTAF12', mode='CP', basis='adz', value=-6.6656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091VAL-094ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.2035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092ALA-164GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7433)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092LEU-095HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6294)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PHE-099TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.8483)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PHE-120VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PHE-131VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0145)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PRO-102HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PRO-133LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092TRP-100GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=22.5856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092VAL-117PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1503)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ALA-099THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ALA-164ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.5626)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ASN-096LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7419)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ASP-097THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-22.0050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093HIE-118GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.0292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093HIE-120ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6440)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093PRO-184PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094HIE-099THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5312)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094HIE-104PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.9120)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094ILE-114TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0470)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094LEU-132VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8794)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094LEU-182MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8694)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094LYS-112ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-122.1812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094PHE-098ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.0435)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094PHE-141ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7237)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094PRO-135MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094TYR-097THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094TYR-151VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9130)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094TYR-153VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094VAL-125TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094VAL-152LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.1544)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094VAL-166PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4976)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ASN-164ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-23.2855)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ASP-102TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=4.5531)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095GLN-098TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.1443)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095GLN-185THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9748)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095GLN-187ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-6.2361)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ILE-120TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ILE-120TRP-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0013)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ILE-144THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LEU-103ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4870)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LEU-130VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LEU-133LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7426)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LYS-107ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9423)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LYS-109THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-14.8713)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LYS-127ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-6.3321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-099LYS-2', method='CCSDTAF12', mode='CP', basis='adz', value=-2.6806)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-118ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8347)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-154ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-160VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9854)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-160VAL-2', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5156)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095SER-114THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095THR-182ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=1.6320)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095TRP-099LEU-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095TRP-104VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8399)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095TYR-106TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.5458)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ASP-100ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-21.7386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ASP-101GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-22.6327)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096GLU-121LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.3127)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-101GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.4101)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-103SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-5.6089)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-126LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-127ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=11.9139)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-132VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4634)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ILE-127VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3655)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ILE-127VAL-2', method='CCSDTAF12', mode='CP', basis='adz', value=-0.1380)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096TRP-110LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0981)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096VAL-105LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.1216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096VAL-108THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8058)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ALA-105LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5991)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ALA-117HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9896)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ASN-102TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.0791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097GLU-101ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-103.5823)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ILE-105THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9980)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097LEU-111PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097LEU-113ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=1.4128)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097LEU-128PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PHE-103ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.3034)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PHE-181TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.8451)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PHE-183ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0574)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PRO-106ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TRP-145LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5736)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TRP-173TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.2342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TRP-213ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TYR-101TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.9759)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TYR-179LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.7013)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TYR-179LYS-2', method='CCSDTAF12', mode='CP', basis='adz', value=-4.7384)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097VAL-112TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8244)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098ILE-145ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6136)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-101VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-115SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0474)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-117ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-136PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9543)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-144VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-144VAL-2', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5989)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-146TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1361)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098PRO-101GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5249)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098PRO-102ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.0332)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098PRO-114PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8451)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-112PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.2386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-127VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.0728)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-138TYR-2', method='CCSDTAF12', mode='CP', basis='adz', value=2.5223)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-164ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-17.6293)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-101GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1834)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-105TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7324)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-152ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7509)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-286TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8542)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-287LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3764)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-102HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.5824)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-147VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8253)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-149ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6793)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-177ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-104.3159)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-216GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-87.7490)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099GLN-108GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.9916)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099GLN-148HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.5442)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ILE-103ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4092)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099LYS-104THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8610)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099MET-107ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9950)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099MET-126VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.1823)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099PRO-104TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.9585)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099PRO-164PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099PRO-166GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.0823)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099TRP-118PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099TRP-272GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-24.5635)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ALA-112PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6605)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ASN-113LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ILE-103HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ILE-104LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.9353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100LEU-130VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6813)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100LEU-134ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3612)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100LEU-142LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4352)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100SER-119GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-20.6997)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100SER-131VAL-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100SER-148ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=2.0930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100THR-104LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100TRP-103LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-11.5541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100TRP-103LYS-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3977)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100VAL-283ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6227)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ALA-104ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.1803)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ALA-128ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6941)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ALA-138TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5686)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ARG-142LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.1178)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ASN-125HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.3884)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ASP-145THR-2', method='CCSDTAF12', mode='CP', basis='adz', value=-18.8915)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ILE-110LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9657)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ILE-110PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6167)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ILE-123ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7222)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101LEU-111TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3563)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101LEU-125TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101LEU-132ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5704)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TRP-132VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9836)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TRP-135LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.8159)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TRP-177ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TYR-151VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101VAL-106LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9300)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101VAL-132PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101VAL-132PHE-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3879)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ALA-114PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.1989)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ASP-106SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.6438)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-109TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.9492)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-127GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8147)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-269HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-5.0160)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-270TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.0779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-272GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-5.6502)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-110ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5397)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-145ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5688)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-149TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-149TYR-2', method='CCSDTAF12', mode='CP', basis='adz', value=-2.2947)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-153PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8003)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102SER-165LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-8.2374)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102SER-169ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-18.1769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102VAL-133PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9636)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ASP-149TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-22.4160)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ASP-269HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-11.2526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLN-108PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.9463)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLU-106LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-113.1105)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLU-108TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-20.7789)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLU-177ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=81.2835)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103HIE-168TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-11.4093)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ILE-110VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5740)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ILE-130VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6273)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ILE-132PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8167)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103PHE-122MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103PHE-127LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9120)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104ALA-125TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104MET-112ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0723)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104MET-133PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6003)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-107ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-129ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.4151)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-147LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4863)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-166GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-22.1781)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-168LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7161)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-169PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3252)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-202PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.4650)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-205GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2160)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104VAL-108ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104VAL-112SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5864)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104VAL-126ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7472)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ALA-115GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ASN-139VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ASN-146GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.8799)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ASN-154ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=4.8319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ILE-128LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.2438)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ILE-131ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5439)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ILE-135LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6543)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105LEU-114TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.0854)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105LEU-168ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0438)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105LEU-175PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PHE-127LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9896)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PHE-130ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.9626)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PHE-130ARG-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7454)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PRO-128ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.1924)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PRO-181TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-8.5787)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105TYR-149HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.6201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106ASN-130HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=1.3779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106ASP-133GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=4.8468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106GLU-129LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-113.3808)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106ILE-168ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3757)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106LEU-126LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3327)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106LEU-149PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6407)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106LEU-149PHE-2', method='CCSDTAF12', mode='CP', basis='adz', value=-2.1359)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106PHE-109PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.3397)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106PHE-178LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.5851)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106SER-128PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.3835)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106TYR-112SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106VAL-112LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6591)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107ASP-125ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-24.2383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107ILE-153TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9727)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107ILE-158MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0953)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107THR-125ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6509)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107THR-129LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-18.2094)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107VAL-147PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0131)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107VAL-147PHE-2', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108ILE-122VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108ILE-146GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4602)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108LYS-131ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108LYS-160LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.2502)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108PHE-125TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.9309)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108PHE-127PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7744)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108PHE-150VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0077)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108TRP-151ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.0260)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108TRP-155VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7954)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109ARG-115GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-113.4459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109GLN-161GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5880)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109GLN-161GLU-2', method='CCSDTAF12', mode='CP', basis='adz', value=-13.3545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-113ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.1893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-181ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9706)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-182VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3732)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-185VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2436)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-228TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.8202)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109SER-137ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=1.5050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109THR-131VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1794)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109THR-158MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8294)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109VAL-164ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4043)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ALA-161PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ALA-164ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5552)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110GLU-129LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-114.6167)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-116PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1278)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-149ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1657)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-151VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0598)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-162VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9217)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110LEU-125VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4122)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110LEU-127ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-123ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3168)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-128PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-222TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.5763)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-226LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1807)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-226LEU-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2921)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110THR-127GLN-2', method='CCSDTAF12', mode='CP', basis='adz', value=-6.0185)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110THR-129TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-5.6011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111ASP-156SER-2', method='CCSDTAF12', mode='CP', basis='adz', value=8.2661)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111ASP-193HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-10.3842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111HIE-218LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.5512)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-116ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9243)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-130TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3574)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-158LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-169LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111TRP-115GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.5835)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111VAL-125ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5202)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ALA-128PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ALA-131VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8808)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ARG-115ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.9251)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ARG-125PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.1612)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ARG-127GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7479)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ASP-183GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=83.8912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ILE-125VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.2060)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ILE-142ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0192)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112LEU-142PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2793)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112LYS-127LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9726)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112PHE-121LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112PHE-125HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TRP-119ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0454)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TRP-119ARG-2', method='CCSDTAF12', mode='CP', basis='adz', value=-3.2458)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TRP-120VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TYR-125GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.3390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TYR-128LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9803)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TYR-190ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-8.4410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-118ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.1283)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-120VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-122VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3607)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-225TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ASP-195GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-14.6819)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-131VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-164HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2838)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-185VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.0981)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-190ARG-2', method='CCSDTAF12', mode='CP', basis='adz', value=-2.0623)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-232ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0241)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113LYS-117GLU-2', method='CCSDTAF12', mode='CP', basis='adz', value=-3.8241)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113LYS-170VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7673)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113LYS-173GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-123.9213)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113SER-120ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4678)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-119PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.2250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-124HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.1033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-126ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9747)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-171ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-22.5728)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-178ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.3657)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TYR-124THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1878)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113VAL-120HIE-2', method='CCSDTAF12', mode='CP', basis='adz', value=-2.0985)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113VAL-143PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114ALA-160ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114ASN-122ARG-2', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8653)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114ASP-179LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.7377)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114GLU-144ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-8.0680)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114GLU-146ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-120.5408)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114LEU-118ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5203)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114LYS-225TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.1167)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114VAL-167GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.1134)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115ASN-124LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115ASP-156ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=83.3303)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLN-118ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.7833)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-123PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1194)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-123PRO-2', method='CCSDTAF12', mode='CP', basis='adz', value=-4.1216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-160GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=62.2403)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-163TYR-2', method='CCSDTAF12', mode='CP', basis='adz', value=-4.3108)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115MET-168TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115PRO-129TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.7405)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115THR-138VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4664)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115THR-142GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-19.9773)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115THR-142GLU-2', method='CCSDTAF12', mode='CP', basis='adz', value=-17.9399)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115VAL-122MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6956)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115VAL-123PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8174)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115VAL-130ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.5992)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116ALA-162PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2794)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116LYS-144SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-8.8662)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116PHE-130VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4548)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116PHE-165VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117HIE-123PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117ILE-142PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1982)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PHE-125TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.2080)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PHE-130HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5564)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PRO-126ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8686)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PRO-129TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.8510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PRO-130LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5519)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117VAL-166ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6830)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ALA-160VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.2570)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ARG-157ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=8.8957)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ARG-185ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=62.3014)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ASP-136HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-26.1739)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118GLN-121PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3937)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118GLU-173PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.8245)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118GLU-176THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-136VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4997)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-165ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3923)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-166TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-178TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1448)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118THR-121LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0995)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118VAL-162PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5876)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119ALA-160LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119CYS-168HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.6090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119LEU-137ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.0079)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119LEU-137ALA-2', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3943)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119LYS-186VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6995)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119MET-144SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0710)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119PHE-124HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.9165)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119PHE-176THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1079)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119SER-123ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.9955)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119SER-140TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6874)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119THR-123THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119THR-123THR-2', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119TYR-174ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0668)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120HIE-185ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9985)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120ILE-123TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-123ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5738)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-124ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.9614)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-124LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2607)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-135ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7480)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-171TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-171TYR-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8200)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LYS-138VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LYS-142ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-99.0921)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120PRO-126ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5291)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120SER-136HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3097)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120THR-143VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3278)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120THR-147GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-20.1572)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120TYR-141PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3509)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120VAL-123ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8300)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120VAL-154ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8042)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120VAL-275LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121ASN-132THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2141)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121GLN-144ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-22.4127)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121LEU-125HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7903)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121LEU-125HIE-2', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8013)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121PHE-126VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2586)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121PHE-191LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121PHE-219TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121TYR-125LEU-2', method='CCSDTAF12', mode='CP', basis='adz', value=-2.1393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121VAL-157ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9415)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122ASP-125LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.0827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122LEU-188VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5142)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122MET-126GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-8.1425)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122VAL-125ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4255)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122VAL-143VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6738)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122VAL-152PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7338)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123ALA-128VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123ALA-158ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=1.8001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123ARG-127GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.0505)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123MET-140ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123SER-182ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7880)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123THR-136SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.2015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123TYR-154VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0198)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123VAL-134LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3950)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ALA-156THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4574)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ASP-131THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=3.9916)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ASP-132THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-20.2998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ASP-134ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-112.6544)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124GLN-200ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124HIE-140GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-24.9847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124HIE-143VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5954)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124LEU-136HIE-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4873)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124LEU-181VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125GLU-192PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-5.3912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125ILE-136TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7944)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125LEU-129LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2908)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125PHE-143VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2833)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TRP-138SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.4957)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TRP-150VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2051)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TRP-152LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.0502)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TYR-164HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.1494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ALA-140GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8802)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ASN-129ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.0636)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126GLU-130ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-104.9393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ILE-136PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8053)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ILE-139PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2966)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ILE-139PHE-2', method='CCSDTAF12', mode='CP', basis='adz', value=-2.7452)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126LEU-130HIE-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126LEU-162PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126LYS-158ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6690)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126PHE-132HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6165)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126PHE-171TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.7369)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126PHE-176TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.9560)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126SER-171ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126THR-197TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3663)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127ALA-177ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.4272)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127GLU-146ARG-2', method='CCSDTAF12', mode='CP', basis='adz', value=-97.4824)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127GLU-269HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127GLU-269HIE-2', method='CCSDTAF12', mode='CP', basis='adz', value=12.7394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127LEU-210VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4327)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127MET-131LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4322)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-132ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3512)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-133SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0152)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-138SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-140HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.8601)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-158VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-183TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.4318)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-206ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1530)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-237ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0863)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-239PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.1966)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128ILE-131LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5792)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128LYS-183TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.6059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128PHE-235LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128PHE-252LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128PRO-275LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0618)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128TYR-158MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.1186)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128TYR-160LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2414)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128VAL-160LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8294)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129ASN-132TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.8353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129ASP-140HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-25.1618)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129ASP-148TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.1076)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-155PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9670)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-192PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4901)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-195PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.1956)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-277TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.9575)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-277TYR-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1867)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129PHE-133VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9450)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129PHE-156ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-7.4020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129PHE-166PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.1248)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129TYR-133ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-8.7406)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129TYR-136TYR-2', method='CCSDTAF12', mode='CP', basis='adz', value=-3.5949)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129VAL-159PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2325)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129VAL-184PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8265)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130ARG-170TYR-2', method='CCSDTAF12', mode='CP', basis='adz', value=-3.3520)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130ARG-244ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.1166)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130ARG-248GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-76.9275)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130GLN-134GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-17.0683)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130GLN-137ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.1430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130PRO-135ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0223)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130PRO-139ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6000)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130PRO-180PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0378)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130SER-149HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-8.7048)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130SER-153TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-5.7220)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130VAL-139ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.2363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130VAL-162VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130VAL-185PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0437)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ALA-140HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ARG-134GLU-2', method='CCSDTAF12', mode='CP', basis='adz', value=-79.6832)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ASP-147PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7207)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ASP-182PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.6736)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131LEU-136VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.0394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131LEU-160MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7611)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131PRO-219VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6339)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131PRO-220GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.2658)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131THR-149LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5506)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ARG-136ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.7813)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ASP-156ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-102.8140)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132HIE-135LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0880)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132HIE-147ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-25.9848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132HIE-149ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8692)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ILE-135PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8977)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ILE-138TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.0043)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ILE-146TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132LEU-198PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9846)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-162VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5515)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-174SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8929)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-176VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3649)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-183GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.0569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132TYR-136PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.9332)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133LYS-136ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-103.0955)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133LYS-198PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4554)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133PRO-151ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-5.2393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133SER-161GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-18.0694)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133TRP-143MET-2', method='CCSDTAF12', mode='CP', basis='adz', value=-2.6239)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133TRP-148VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.5660)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133TRP-277TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.9833)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133VAL-137ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.8700)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133VAL-146TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.1434)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134GLU-138ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-104.6485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134ILE-147ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.0323)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134ILE-167LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134LEU-205TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135ARG-193VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.1219)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135ILE-180PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8312)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LEU-139LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1567)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LEU-163LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.2426)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LEU-179LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LYS-157GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-105.4557)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LYS-177ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PHE-147TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.3591)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PRO-140SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8511)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PRO-144LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PRO-155PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6596)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135TRP-147GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-6.4362)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135TRP-208ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136ARG-142ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.3420)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136ASP-198PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-7.2327)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136ASP-201VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.3000)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136CYS-143PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.2349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136PHE-141ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8105)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136PHE-146TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.3578)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136SER-144ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-14.5064)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136TRP-155CYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4465)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136TRP-165ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-23.0098)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136TRP-179MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136VAL-169LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6473)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137ARG-154TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.7875)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137ARG-154TRP-2', method='CCSDTAF12', mode='CP', basis='adz', value=-6.9390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137ARG-157GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-101.3133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137GLU-143MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-5.2307)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137SER-156ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9522)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137TYR-166SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3425)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138ARG-142GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-92.7236)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138ILE-156ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.9589)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138LEU-149PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138PHE-153PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.7695)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138SER-169VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8506)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138TRP-146PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.4958)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138TRP-243LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.2783)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138VAL-144ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7493)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139ASN-154SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-5.2409)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139GLU-144LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-116.3964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139ILE-143TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139LEU-204TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3715)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139PRO-180PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4130)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139TYR-148SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5653)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140GLU-143VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.9479)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140GLU-155THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-17.0202)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140GLU-156ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-119.2516)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140LEU-168LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.1367)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141GLN-160PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9068)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141LYS-144GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-111.2084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141MET-155ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5710)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141PHE-152PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.4237)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141SER-144ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-14.0220)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141SER-154ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3803)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142GLN-154GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-5.6199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142ILE-155LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4483)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142ILE-155LEU-2', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142ILE-185VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9239)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142PHE-170ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9189)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-147LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-9.1886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-148TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.1645)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-150VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.2185)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-160PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.2521)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-170ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.1762)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-199THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-203VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143ARG-187ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-116.1778)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143ARG-188LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=62.4136)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143GLN-147GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-23.5311)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143ILE-146VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4674)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143LEU-160ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.8125)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143TRP-146LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-5.1832)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143TYR-150ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.0112)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143VAL-147LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6493)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143VAL-152PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0495)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144ARG-147GLU-2', method='CCSDTAF12', mode='CP', basis='adz', value=-92.5349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144ASP-150SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-15.4572)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144ILE-155THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9188)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144LYS-161GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-122.2209)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144PHE-153LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.1760)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144PHE-155ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7300)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='145GLN-149MET-2', method='CCSDTAF12', mode='CP', basis='adz', value=3.5460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='145LEU-149PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9625)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='145THR-149PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7200)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146ARG-207GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-118.8437)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146GLU-158SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=9.1150)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-149PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.8805)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-150LEU-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7920)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-150VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5434)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-164TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2795)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-165PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2426)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-199LYS-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.9063)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146VAL-161VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6189)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146VAL-161VAL-2', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146VAL-165HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5451)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147ASP-171TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-25.6097)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147ASP-188LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-111.1539)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147LYS-203VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6159)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147PHE-159PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.9221)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147PHE-182PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.0371)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147VAL-175SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8505)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148ALA-158LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5831)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148HIE-152GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.8595)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148ILE-202VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5891)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148ILE-204ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.5078)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148PHE-164HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.8649)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148PHE-165TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.5594)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148SER-163ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8381)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148TYR-170ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3104)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-167THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2474)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-171TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-5.0479)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-175SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.9889)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-177ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-6.5164)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149LEU-152GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4885)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-159ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.9763)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-164PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-165PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8643)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-169VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PRO-152GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.2300)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PRO-152PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149THR-157PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9288)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149TYR-153PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.9212)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150ARG-157ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-113.2645)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150ARG-208ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.3014)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-153PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8865)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-154TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5503)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-159PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2492)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-167LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4357)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-170HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-202LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8495)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-203GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.5077)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LYS-158LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='151ILE-159VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.0510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='151SER-159PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.2699)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='151THR-163THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=5.4671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152ASP-156LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-5.2916)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152ASP-158LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2751)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152CYS-197VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.5881)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152LYS-156ASP-2', method='CCSDTAF12', mode='CP', basis='adz', value=-115.3053)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152LYS-277TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.7486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153ASP-156ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-67.3500)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153ASP-200ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-106.3045)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153LYS-203GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-115.4603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153PHE-163LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2115)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153TRP-158MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.8264)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ARG-204ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=61.6210)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ARG-208TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-11.0515)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ILE-159GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5721)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ILE-160VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154LEU-191TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2639)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154LYS-159ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6539)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154TYR-203GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=4.6171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154TYR-207ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.2614)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PHE-197TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PHE-277TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.2535)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PHE-284LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PRO-170TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-171ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-94.9413)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-172THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-14.5056)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-197GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-114.3084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-200TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.7614)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-200TRP-2', method='CCSDTAF12', mode='CP', basis='adz', value=-12.4864)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156SER-191TYR-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7973)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157ASP-202VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.3402)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157ASP-204ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-118.3821)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157ILE-160CYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3589)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157MET-181ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.2944)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157MET-192ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0544)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157PRO-161VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9757)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157VAL-167PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2621)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158ALA-193HIE-2', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9716)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158ALA-284LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4037)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158ILE-164LYS-2', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8465)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158LEU-172THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.2086)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158VAL-169VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.0935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158VAL-205TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2248)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ALA-197TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5679)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159GLU-170LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.5465)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-172TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6641)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-199LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8261)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-200TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-203PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4476)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PHE-206ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7732)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PRO-164VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5552)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PRO-178TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.7886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PRO-192ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0325)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159VAL-180LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0950)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160LEU-164TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5963)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160MET-169LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1210)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160PHE-169VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160PHE-203VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161ARG-285ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-86.6348)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161ARG-288ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.2044)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161ARG-292GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-119.7998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161THR-194VAL-2', method='CCSDTAF12', mode='CP', basis='adz', value=-0.1820)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161TYR-201ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.3671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161TYR-204ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2206)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161VAL-170LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5128)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162ALA-174ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6973)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162ALA-175TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.3479)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-198PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1002)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-201LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3859)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-203VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7440)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-208ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.0948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-284LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3678)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162PHE-168LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.0765)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162PHE-207ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3503)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162VAL-167CYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162VAL-167TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4787)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162VAL-167TYR-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ARG-201LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.2794)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ASN-166ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ASN-196ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-5.8980)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ILE-166CYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6859)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163LEU-171ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5676)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163LEU-175LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.1269)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-174ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.1766)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-178TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.8722)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-180LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9872)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-180LEU-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-183LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-6.4061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-184VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1575)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-187GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=3.8102)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='164VAL-171ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8903)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='164VAL-225LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5878)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165ALA-292GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.3393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165GLN-224MET-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.9679)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165LYS-169ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-112.3273)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165PHE-169VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-168ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=3.0510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-171VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6192)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-208ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-208ILE-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165VAL-177ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5635)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='166ILE-187ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4834)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='166PRO-171VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5952)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='166PRO-172VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3972)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='167GLU-187ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-117.1201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='167PHE-170TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.9052)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='167PRO-170VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168HIE-180GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-24.5915)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168ILE-178VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168LEU-172ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.4994)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168LEU-211ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.0033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168TYR-203ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2395)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168TYR-224MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5317)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169ASP-172SER-2', method='CCSDTAF12', mode='CP', basis='adz', value=-18.7911)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169LEU-181TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4388)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169LYS-172ILE-2', method='CCSDTAF12', mode='CP', basis='adz', value=-2.8305)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169LYS-291ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4761)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169MET-184VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.1353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170ALA-175TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2180)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170HIE-174LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2731)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170LEU-178LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0070)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170LEU-186TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170THR-180GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6117)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171ASP-176THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-17.5374)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171THR-180SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-5.1946)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171TYR-180PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=2.0549)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171TYR-231VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1972)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='172ASP-204TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-25.9034)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='172ILE-235VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5869)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='172TYR-193VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8972)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173ARG-234ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-116.5504)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173ARG-296LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=58.5888)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173CYS-269HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173CYS-270TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1596)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173LEU-190VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5602)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173PHE-176THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9664)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173TYR-211PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2139)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173TYR-213ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.1035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173TYR-245ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3163)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174ASN-178LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-24.7169)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174MET-177ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1838)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174THR-205LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4120)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-203VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8276)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-205PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6896)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-270TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.2678)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-273GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7333)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-273GLU-2', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8823)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='175LEU-233ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3729)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='175VAL-268LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9658)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='175VAL-274ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-6.9592)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ALA-195LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6407)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ARG-182GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-114.6563)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ARG-273GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-76.4075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ILE-198PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ILE-201ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ILE-205LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4019)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-204TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8124)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-208ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6722)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-208ALA-2', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5340)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-214PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5968)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176THR-180LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7598)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='177ASP-216GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=70.1278)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='177GLN-190VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='178SER-239ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-18.9266)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179ALA-225TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8826)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179ALA-238MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7542)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179ALA-250ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179LEU-239PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179TYR-216GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=4.1477)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179TYR-250PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.0933)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179TYR-258TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.5435)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180ASN-219SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.8471)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180ASN-229TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.7492)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180GLU-187ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-101.3338)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180GLU-189ARG-2', method='CCSDTAF12', mode='CP', basis='adz', value=-105.3740)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180GLU-194ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-115.3470)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-184VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3808)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-209TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-11.4194)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-214PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-224ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8506)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181ILE-228TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2102)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181THR-195SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-5.1389)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181TRP-185GLN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.2715)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181TRP-189SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181TRP-258TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.9998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ASP-186ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-11.2838)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ILE-192ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ILE-239PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0490)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ILE-242LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182PRO-186LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4197)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182PRO-186LEU-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0824)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182PRO-189ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.0713)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-190LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4593)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-194ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-205LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.0728)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-209TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=1.9961)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183TYR-186LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-14.9380)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184ASP-187ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-87.8290)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-205THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8697)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-209LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3942)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-225TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.5179)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-228VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3160)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-238MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-255TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7499)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184THR-220ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4420)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184VAL-225GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5846)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185PHE-190LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.1064)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185TYR-220PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7214)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185VAL-224ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.1299)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185VAL-228TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4316)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186CYS-192PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9470)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186GLU-189LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-108.8902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186LYS-191VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6677)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186LYS-191VAL-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4484)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186TYR-273GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=4.7035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186VAL-208PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1682)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186VAL-223LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5411)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='187LYS-193THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5378)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='187LYS-193THR-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6716)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='188LYS-225GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-5.3072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189THR-199LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.2164)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189THR-205PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3900)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189THR-207GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-16.6254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189TYR-232ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5969)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='190ARG-235LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.0975)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='190LYS-193GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-108.8639)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='190PHE-199LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='191LEU-219TRP-2', method='CCSDTAF12', mode='CP', basis='adz', value=-2.4822)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='191TRP-229TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3833)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='192GLN-197VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='192ILE-242LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5318)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='192SER-269ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-9.7235)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='193HIE-248MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9128)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='193HIE-301MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.0255)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194ASP-269ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-119.4855)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194ILE-205LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5798)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-198PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.1158)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-201LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.9344)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-217PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7367)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-233ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8862)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-237ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-241TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.7754)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195ASP-241TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=5.8126)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195LEU-205PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9123)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195LEU-237ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3561)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195LEU-269ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.6265)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195PRO-198PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.8364)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-218GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=10.3692)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-221MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-249ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7230)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-249ILE-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='197TYR-201LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8287)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='197TYR-252PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.0202)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='197TYR-284LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198ASN-201LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-205PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-217PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0701)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-284LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-287LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6107)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='199LYS-207GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-108.8447)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='200TRP-204ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.4111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='201LEU-284LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5978)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='201SER-209ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.3609)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='202TYR-212ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7154)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='202TYR-241TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.4568)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='203VAL-291ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6780)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205LEU-212ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8234)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205MET-223ASP-2', method='CCSDTAF12', mode='CP', basis='adz', value=-5.6805)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205MET-224MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7176)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205THR-209LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7009)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='206ASP-210TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-27.7922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='206VAL-231TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4071)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='207PRO-216VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4427)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='208ALA-214PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2324)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='209TYR-214PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.9262)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='210GLU-213LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-109.7711)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='210TYR-216ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8150)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='210TYR-286TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.2782)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='211ASP-214LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-114.7425)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='211PRO-245ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7557)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='212ALA-221GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.4849)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='212ILE-243LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8113)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='212PRO-215ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='214ILE-217PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6149)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='215ALA-282PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7702)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='217PHE-234TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.1655)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='217PHE-247ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='217PHE-249TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.7924)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='218ALA-249TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.6477)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='218ALA-258TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5973)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219SER-229TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.6225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-222TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5230)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-222TYR-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7230)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-272ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8726)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-286TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2152)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-288LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.0924)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='220ALA-256THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='220ALA-286TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.2654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-226LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-4.2916)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-230LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-111.5914)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-231TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=7.0338)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-262SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-18.4127)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-263SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-18.8379)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-265GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=80.7400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='222ALA-249ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6002)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223ASP-286TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=4.4961)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223ASP-288LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.6305)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223ASP-289SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-19.9436)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223LEU-227ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=1.1415)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='224MET-229PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.4987)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='224MET-229PHE-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4629)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='225ASN-228ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.7216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='225TRP-228VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0610)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='225TRP-252GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.5279)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-233LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.2957)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-247VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0723)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-294TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.4599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-294TYR-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5443)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LYS-262SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-17.7591)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='227HIE-255SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.3271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='227HIE-256LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.2572)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='227HIE-289SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.0730)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='228ARG-232GLU-2', method='CCSDTAF12', mode='CP', basis='adz', value=-92.1022)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='228VAL-254THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.2961)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='232PRO-290LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234ASN-237ASN-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5917)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-260LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8571)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-262VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4295)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-286TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.1013)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-286TRP-2', method='CCSDTAF12', mode='CP', basis='adz', value=-2.4983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='235VAL-294ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5777)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236ILE-258LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.4067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236ILE-260ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8850)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236PHE-262VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.9919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236PHE-279ILE-2', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8733)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236PHE-282GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0962)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237ILE-267ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5107)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237ILE-269ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5053)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237TRP-246PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.0962)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237TRP-249ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.6366)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237TRP-263ASP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.2509)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='238MET-247PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0177)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='238MET-255TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.2798)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='239ASP-244THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-3.7783)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='239ASP-271PRO-1', method='CCSDTAF12', mode='CP', basis='adz', value=-12.4195)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='240ASP-270SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-18.1074)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='240PRO-268LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='241ARG-272GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-92.4062)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='243LEU-269HIE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.4295)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='244SER-294TYR-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5253)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='245ILE-250ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7188)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='245PRO-248GLU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-2.3119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='248MET-298ARG-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9228)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-269MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6255)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-276ILE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.3319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-297PHE-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.5761)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-300LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.7281)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='250ILE-255TRP-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.9208)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='250ILE-255TRP-2', method='CCSDTAF12', mode='CP', basis='adz', value=-2.3166)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='251LEU-269MET-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.3410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='252PRO-258ALA-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.5059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='253ALA-261THR-1', method='CCSDTAF12', mode='CP', basis='adz', value=0.9201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='253ALA-302SER-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0031)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='255TRP-261VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.8787)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='258LEU-261VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6859)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='261VAL-266VAL-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.2148)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='264ILE-271LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.6852)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='270SER-283LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.8832)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='273PRO-283LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.0613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='274ILE-279LYS-1', method='CCSDTAF12', mode='CP', basis='adz', value=-0.9129)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='275ASN-278LEU-1', method='CCSDTAF12', mode='CP', basis='adz', value=-1.1685)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-005ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-61.6494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-013ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=63.4216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-015GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-80.6578)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-159VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.8480)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ASN-026VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6995)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ASN-030MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=1.0517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ASN-097GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-16.7503)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001HIE-099GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LEU-071LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6846)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LEU-154LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5336)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LEU-190THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LYS-027ASN-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=21.2648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LYS-027THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6727)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LYS-027THR-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=1.5042)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-005GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.1958)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-027VAL-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=3.0209)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-031VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=2.5916)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-047GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.9944)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001PRO-046ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.0505)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001SER-030GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.1182)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ALA-101ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7537)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ARG-006GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-90.6329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ARG-020PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.1781)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ARG-046LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.2177)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ASN-022GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-21.2199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ASN-026ASP-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-8.3667)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ASP-145HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-6.6005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-005GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.7359)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-006GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-153PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5801)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-163LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4950)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-006GLU-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8849)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-007ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-035GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-110.4352)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-075ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-22.7269)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-080ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8515)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-082TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-8.4141)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002MET-031TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8423)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002MET-050ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9163)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002TRP-012VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002TRP-138SER-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-5.7452)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002TRP-139LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6514)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-009TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5376)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-042PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9276)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-042PHE-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5423)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-043HIE-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.1451)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-046SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3193)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ALA-007THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8915)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003GLU-006GLN-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=4.5121)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ILE-062ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.0969)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ILE-065SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.3455)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ILE-067TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4240)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003LEU-033LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6016)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003LEU-054LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6070)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003LYS-055LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3741)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003PRO-025ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003SER-096ASN-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.1806)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003THR-181VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0519)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003THR-182GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.4393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TRP-163PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.9749)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TRP-167GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5368)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TRP-167GLN-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.3967)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-028VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2114)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-028VAL-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5684)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-030GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.5846)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-054VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1176)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-056ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5990)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-073CYS-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.9101)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-074SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6763)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-096HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.9764)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-009TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2767)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-012GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.6674)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-036PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2186)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-064TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9543)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-081THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4443)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-083PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6014)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-118ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-121TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0705)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-024THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-15.3194)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-057ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9556)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-057ILE-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.0536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-095TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5063)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-095TYR-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-6.0380)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ASN-009TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.7316)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ASP-043THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-16.5174)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ASP-194ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-102.6515)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004GLN-007ASN-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.5083)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004GLN-056GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-7.1580)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004GLU-039THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-16.3283)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-010TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8680)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-031TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2139)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-032HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0800)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-040GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.7483)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-179LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6441)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-180LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.1181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-180LEU-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8828)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-183LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4814)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LYS-030ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.2309)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LYS-031ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8045)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LYS-323PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2478)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-116VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0262)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-135LEU-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.8107)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-158LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7188)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-160PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.7274)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-007LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0043)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-009TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.4733)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-026TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.4149)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-029PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.2052)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-068VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-074ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0310)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-094LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1262)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-096TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.4051)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004SER-027VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5764)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004SER-030MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5564)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-078LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4901)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-132LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-12.8213)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-163LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3481)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-164GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-15.8352)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TRP-014ARG-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4985)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TRP-016LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.4197)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TYR-075PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TYR-105LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3165)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004VAL-053LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.2248)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ALA-019PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5641)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ARG-012GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-106.8745)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ARG-071GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-95.7587)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ARG-158LEU-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.1091)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ASP-103GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-12.5794)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ASP-128ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-100.7757)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ILE-054SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1635)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ILE-234TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8985)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ILE-277LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.2912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-010TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9376)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-011PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.2171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-015LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.8688)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-023GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7977)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-025ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4397)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-025LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-030ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.1682)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-030LEU-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-032MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6845)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-037ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5843)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-068ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6711)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-077LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4448)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-083HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1644)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-106TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.8283)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-191TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9955)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-022VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-031TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-037PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-043TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.1901)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-049LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9529)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-050TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.8260)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-155SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6945)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-162GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.0303)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-163LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3946)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PRO-196ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0943)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005SER-028VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5683)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005TYR-166TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.1635)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005TYR-168VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-008GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-023LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3900)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-035PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3197)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-037ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3092)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-039SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.1409)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ALA-078GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6016)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ARG-090TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.8653)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ASP-010THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=6.1393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ASP-116VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4810)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006GLU-010TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.6465)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-108PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.7359)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-126VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5295)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-319TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5053)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-323PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9739)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-018ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-6.7115)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-039THR-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-050VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6971)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-053LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9014)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-061PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.1653)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-163LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7257)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006THR-097VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006TRP-026TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006TRP-038VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006TRP-040LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9577)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-020VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7327)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-023MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5522)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-024ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-026LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3690)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-038ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.1957)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-053LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6183)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-055GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.1610)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-175PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.7280)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ALA-011ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9361)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ALA-021PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9287)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ALA-049VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.2639)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ARG-011GLU-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-102.7632)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ARG-062TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9947)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ARG-063PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.6652)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASN-109GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-19.0889)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASP-011GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=7.2603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASP-119SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-5.6465)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASP-131ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-111.0244)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007GLU-033LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.6202)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007GLU-033LYS-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-100.0907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-015LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8585)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-030LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-030LEU-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4372)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-038TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-042LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.0589)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-097VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6143)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-017ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7249)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-026VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.3122)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-033LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-090TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2687)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-096TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0829)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-168HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6279)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LYS-011ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-113.0388)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LYS-093SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8305)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LYS-099THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6558)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-019VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6657)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-021PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.7565)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-021PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5614)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-022VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3066)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-024VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.0714)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-035PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2664)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-084LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7344)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-091ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5679)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-111PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0620)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-157ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-160CYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8357)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007SER-010ARG-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-8.3698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007SER-100ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.5458)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007THR-031LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.1684)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007TYR-053TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.0322)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-022SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9139)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-026GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-034ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5098)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-038VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-040THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-154GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6019)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-154GLN-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0746)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-191TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1217)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-248MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5890)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ALA-034ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.2724)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ALA-035GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.8727)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ALA-038MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5624)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ARG-115SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-14.8807)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASN-030LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-25.2074)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASP-018ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.7487)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASP-018ARG-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-111.2491)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASP-058ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3558)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-012HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7025)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-015TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0747)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-032MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5558)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-033PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1108)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-034LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.1905)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-035TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-041TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0178)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-058PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.2566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-062TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2209)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LEU-017ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5214)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LEU-088TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2527)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-043THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-14.2732)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-065VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5188)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-068GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.0563)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-068GLU-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-106.2579)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008MET-158LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.2053)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-042LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8156)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-044ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0425)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-097VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.7635)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-099HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.2479)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-101HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.7114)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PRO-183ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-13.1464)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008SER-032SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-5.3801)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008SER-093TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1478)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TRP-035PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.3142)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TRP-250PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.0940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TRP-252GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-20.0924)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TYR-052TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.7759)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-039TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9267)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-041VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3238)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-066LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.1128)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-072SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.2444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-080PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1311)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ALA-084LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4732)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ALA-091ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.1540)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-023GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-95.9252)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-031TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-11.7365)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-092LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.3277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-103GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=5.2428)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-106ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-89.4764)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-128ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.4772)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-128ARG-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=59.8099)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ASN-024ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=9.3504)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ASP-021LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.5660)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009GLN-068ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9590)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009GLN-072ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.4952)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-013TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-038LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3563)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-052PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6790)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-092LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8062)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-092LEU-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5307)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-105LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6578)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-108PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8900)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-155ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4240)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-013VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6470)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-033LEU-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-039ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5727)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-041VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6595)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-041VAL-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3508)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-055SER-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7503)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-058ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7237)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LYS-137LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.4151)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LYS-171VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7924)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009PRO-069TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9716)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TRP-111ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-11.1443)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-016GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=4.2554)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-029THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0325)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-033ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.5507)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-035SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3118)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-050PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.3075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-053TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.6057)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-111ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-23.0857)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-121TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.7818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-158ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.1383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-301MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6185)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-303TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.5056)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-021PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.8398)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-025ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4091)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-035ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5824)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-084ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3512)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-086TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ARG-039ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-100.7777)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ARG-042ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-90.6448)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ARG-092LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASN-014GLN-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-5.8089)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASN-023GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-23.2763)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASN-088TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.6886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASP-090TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-25.2782)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLN-022MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLN-102TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.6834)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLU-014LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-67.9098)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLU-032SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=10.3389)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010HIE-015TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9993)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010HIE-023ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9620)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010LEU-091ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9593)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010LEU-096TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8474)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010LEU-132ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010PHE-028ILE-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5114)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-022LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.2348)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-025VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1852)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-032ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4113)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-032PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.7858)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-034VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9855)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-052TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2765)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-058PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.7873)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-081VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.4368)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-081VAL-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.4534)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-017GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=3.5050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-049PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.3084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-052TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.0670)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-163TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3862)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-027ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5943)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-028LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6003)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-034TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8411)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-040PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.7298)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-044ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.2989)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ALA-016GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8228)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ASP-091ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-18.1510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011CYS-042VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6290)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011CYS-042VAL-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7534)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011GLU-062TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=2.9824)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011GLU-100THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-8.7619)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011HIE-015ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=2.1701)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011HIE-304SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=1.3782)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011HIE-306ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.9164)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-017LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3104)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-018ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-024ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5751)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-024ILE-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4132)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-028LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.1812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-037LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.0380)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-038TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9989)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-042LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-045VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4709)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-062HIE-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8427)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-069TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8997)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-071GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0674)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-102TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.7157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-102TYR-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6236)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011PHE-044TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1099)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011PRO-020ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.2838)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011SER-223GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-18.6181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011THR-017ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4032)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011THR-166GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.3512)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011THR-166GLU-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-16.6458)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-018ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-8.0228)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-023ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-7.8999)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-051GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-10.4590)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-102GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.8044)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-169ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2675)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-144PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0813)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-153LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4276)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-153LYS-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6344)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-155ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.1153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-055PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5820)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-059PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9192)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-108PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-139ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5709)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASN-048PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4282)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASP-024LYS-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-77.4102)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASP-026TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-7.4965)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASP-069TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=3.5817)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLN-034GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-6.9466)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLN-044TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3297)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLN-048TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6704)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-017GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9070)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-019THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-17.2297)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-068HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=12.1952)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-070TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-5.2658)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012HIE-015ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3472)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012HIE-033LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-016THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6565)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-018LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4186)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-028LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.1770)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-044ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8700)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-046LYS-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.0740)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-046VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-024VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4974)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-027PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1952)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-033LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.1609)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-035TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2680)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-039ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6767)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-047ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3851)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-057LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4150)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-062HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.7163)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-064LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-065LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-070MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-074VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.0885)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-083ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0929)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-085ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-088TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5546)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-026PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.8494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-040PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4892)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-116PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-163ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.7173)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-166CYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0932)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012SER-138SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.7439)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012SER-166PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6242)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012TYR-087PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.1481)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-016LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.2948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-023LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3058)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-088PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0239)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-114PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9947)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-146PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9130)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ALA-096TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.3868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ASN-149ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-7.5339)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ASP-016GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=62.9231)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ASP-023ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-117.8572)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-039ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-91.6200)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-052ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6789)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-056GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-22.3511)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-065LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.4012)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-069ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-115.7565)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013HIE-032ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4164)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013HIE-095HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.5998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013HIE-121TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-10.7842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ILE-017LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7237)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ILE-105ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4131)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-017ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.2472)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-063ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5136)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-065PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.7690)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-066ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4396)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-069LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6593)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-077LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.2114)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-082VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5364)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-084ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4967)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-036VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7731)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-060TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.1974)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-062LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4971)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-063PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-083ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9637)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-085ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PRO-032VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.0197)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PRO-034GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PRO-129THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9686)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013SER-047TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3405)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013THR-164GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.9787)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013TYR-075LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.8251)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013TYR-075LEU-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-016PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5866)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-066LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7483)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-154ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-154ASN-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1411)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ALA-055LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ARG-083THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=2.7861)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASN-027ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1115)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASN-061LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-24.8072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASN-137TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.4717)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASP-017ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-81.0194)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLN-093VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3994)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLU-036LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-121.5281)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLU-069ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.6393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLU-164TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-26.7491)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014HIE-043TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-025TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7175)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-027ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-081PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1316)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-085ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-088MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8556)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-061GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4240)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-070TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.7192)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-163ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5844)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-174PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8736)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LYS-023GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-125.0887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014SER-017GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-15.8038)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014SER-084GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.6328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-019GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.2971)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-021PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-022LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4814)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-022LYS-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.8572)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-082PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.7830)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014VAL-091ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4101)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ARG-020ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-99.9828)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ARG-164ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5048)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-019THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.9148)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-048GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-7.1475)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-069ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.0986)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-149PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015CYS-057LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0991)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015GLU-019LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-106.5327)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-019PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4195)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-023LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3669)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-030LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8427)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-034LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3909)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-035ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6397)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-136HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5062)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-035TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8805)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-038LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4632)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-080PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-084TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2457)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-102SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.3809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-047TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5556)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-047TYR-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-13.2431)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-220ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-107.7442)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-223GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.4064)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015MET-023LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015MET-023LEU-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8652)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015PHE-039ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8233)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015PHE-044LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4492)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015SER-018THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.1362)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015SER-037LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5575)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-019ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-021MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8568)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-060HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-8.7552)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-061GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-5.3936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015TRP-025THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1185)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015TRP-096TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.8567)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015TYR-034ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.8517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015VAL-060TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9238)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ARG-047PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.2894)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLN-048ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6822)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLN-098LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3984)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLN-101GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.2434)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLU-035TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.8941)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ILE-021VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ILE-145LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4132)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ILE-219PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7585)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-036LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.2001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-046ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.2440)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-062LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.1135)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-065LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4959)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-072PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.2921)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-082SER-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.4451)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-137ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6117)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-141MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7686)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LYS-085GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-106.1177)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-034VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.7405)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-036VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-132ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8568)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-176PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.6725)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-192LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.0584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016SER-031ASN-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-5.2181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016THR-022MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016TYR-079ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5476)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-033THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.2694)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-055PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-059PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-084ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3735)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ARG-056HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-8.6766)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASN-021LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-19.5144)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASN-029ASN-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-6.6584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASP-049ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-77.0851)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASP-060HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-7.7674)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLN-024ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-8.1887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLN-093VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.3486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLN-094ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-25.1410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLU-036TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.5174)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLU-072PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.8099)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017HIE-033ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-20.0981)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017HIE-035TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-5.9121)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-021LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1207)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-028LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6636)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-028LEU-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3093)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-030PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8286)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-055HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.8123)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-149PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.4385)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-050ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3731)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-056PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5625)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-066LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.3678)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-083ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6618)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017MET-020LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3178)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-022SER-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.0877)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-025TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6878)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-077ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-7.5365)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-081PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.4612)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-084LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3962)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017THR-078GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-14.5601)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017THR-307TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.7012)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017VAL-049LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6378)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ALA-023VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3266)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ALA-026GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.8739)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ALA-027VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ARG-057THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4323)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ASN-227ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0013)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ASP-032THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-19.8538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ASP-034ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.1677)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018CYS-132HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.8438)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018GLU-074ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-022GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2908)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-052VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4594)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-055ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3590)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-055PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018LEU-039ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=1.7603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018LYS-024TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.4281)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-060HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6571)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-085GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-086VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1138)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-139LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7666)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018SER-024LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.2677)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018SER-040GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-17.9685)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018THR-035ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4142)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018VAL-034ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018VAL-164TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018VAL-166ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7438)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ALA-055HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4758)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ALA-058TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2750)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ARG-027ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=60.0719)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ASN-053VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9689)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019GLN-026GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9874)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019GLU-022LYS-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9336)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019GLU-025THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-17.1644)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ILE-051VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6286)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-037ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-041VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8150)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-061ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5713)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-062LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7954)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-062LEU-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9169)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LYS-027VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5724)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LYS-031HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LYS-071GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-116.9961)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019PHE-049LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019SER-023ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.0336)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019SER-023ARG-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-5.9537)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019SER-026ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-14.2790)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019THR-022MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2805)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019THR-035GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8961)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019THR-035GLU-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.7748)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019TYR-050TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.6741)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-027ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6483)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-058VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.0624)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-075LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3445)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-081LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4636)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-137ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.2313)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-138VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.0068)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-138VAL-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ASN-039LYS-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-25.4293)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ASN-040LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-24.2036)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ASP-082LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-79.8347)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020GLN-036TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.8765)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020GLN-059ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.1340)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020HIE-062ASP-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=10.2083)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020HIE-068LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.2276)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-023VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3051)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-032THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6009)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-082ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4195)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-309ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LEU-024VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8531)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LEU-038ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.2645)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LEU-042VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=1.1715)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LYS-040GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-121.9031)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PHE-135PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.2773)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PHE-149LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0660)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-023ARG-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.9823)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-177PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9592)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-178LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8026)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-181ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.0548)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020SER-058VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.0353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020SER-091ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5782)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020VAL-029TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ALA-039TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7623)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ALA-057VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2293)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ALA-100ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1176)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ARG-033THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5863)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ARG-035GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.4086)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ARG-035GLU-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-91.6623)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021GLN-024LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-22.7641)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021GLN-024LYS-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3284)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021GLN-057TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9045)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021HIE-061PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.1769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-031HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4950)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-036VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5806)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-038VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-041PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4299)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-077LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.0061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-088ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7234)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021LYS-032TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-11.4426)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021LYS-039ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021MET-058TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.7553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021MET-062GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7544)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021MET-069ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1499)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-025GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.1696)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-038VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-054ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8114)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-060PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.8353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-072PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.7467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-072THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.7499)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-076VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1377)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-079ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0389)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-082PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.6987)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-097LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-097LEU-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6729)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-113ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.0280)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-131VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9398)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-251HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.0452)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-260ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0692)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021SER-142ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.8578)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021THR-148GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.1170)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021THR-150LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7404)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021TYR-088PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.4382)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ARG-072GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-106.1155)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ARG-073GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-88.0392)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-028GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=2.5436)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-046MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.8781)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-055ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=8.7659)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-058GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.8481)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-147TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-5.3875)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ILE-072HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0677)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ILE-074ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=1.7428)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-057THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-058PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-062ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6973)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-065LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5598)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-081LYS-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7521)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LYS-086ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7094)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022MET-041VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6625)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-027ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0377)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-031ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4411)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-039TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.8880)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-040ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4767)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-041PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.7462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-064VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9933)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-069VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1770)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-069VAL-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5202)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-099ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8574)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-166ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1727)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-168TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.6905)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022SER-121LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6610)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-026THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-039TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.1281)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-040TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.4049)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-043ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-055LEU-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.0271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-059VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2071)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022VAL-067LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4575)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022VAL-079TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8291)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022VAL-079TYR-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ASP-027ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-106.0510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ASP-042ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-120.8937)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ASP-057ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-115.4886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLN-177PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.8700)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLN-217THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-6.1814)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLU-028LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.1587)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLU-046LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-110.2912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ILE-060PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5384)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-035PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-035PHE-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8675)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-036ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9592)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-055ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4234)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-097LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5535)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-029GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-80.2356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-029GLU-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.3634)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-064TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-7.6089)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-064TYR-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3978)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023MET-038ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8962)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023SER-051ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=1.7974)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023THR-085ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.2812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023TYR-026LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6945)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023TYR-031TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.5703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023VAL-041ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.1541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023VAL-055LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7130)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ALA-034ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.2931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ARG-073ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-16.3604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ARG-076GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-109.2859)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-027ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-24.9385)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-027LEU-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.2859)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-029ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7103)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-034TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.1739)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-056PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9568)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-058TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.6089)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASP-065HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-26.5748)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024CYS-100ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.5866)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-040HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-25.1315)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-041LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9364)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-050ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.4824)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-054ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-105.2336)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ILE-055TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8755)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-028GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-028GLU-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.4145)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-029GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.0102)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-031LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0375)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-032VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4899)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-054VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5512)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-260ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1617)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-261ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2247)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LYS-057TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LYS-069TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.0721)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LYS-069TYR-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-9.3968)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-089LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.0577)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-089THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4339)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-099TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.1254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-100SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9134)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-130LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4017)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024SER-038THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=3.9579)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024THR-041GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.8613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-032HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1759)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-049ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5398)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-054PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-079PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.1112)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-142VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-143GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2899)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ALA-035TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8380)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ALA-037ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6635)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ASN-181ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-7.5198)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ASN-183THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-5.7841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-029LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2432)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-036THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=1.0981)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-039TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.2151)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-260ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6555)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-274ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9969)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-028VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-036VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-056LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.2995)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-059ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9892)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-084ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.1429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-084ILE-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3684)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-090ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4923)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-091VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4144)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-055VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-060PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-075ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-075ILE-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4926)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025SER-035ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.2619)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025SER-075ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=4.2127)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025SER-100ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2597)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025THR-045THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.5666)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025THR-100TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2730)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025THR-103LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-17.1126)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-038MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7361)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-135ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-144LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9188)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-146PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.4214)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-152GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-21.9590)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TYR-080ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.4198)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TYR-081PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TYR-084LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5057)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-029TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8450)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-057VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6123)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-069ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7298)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-083GLU-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5341)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-185ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6885)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASN-054ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-7.5245)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASN-055ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1346)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASN-058GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-15.7116)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASP-042PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASP-077PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.5859)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLN-065HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLN-065HIE-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0471)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLU-042HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=13.2296)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLU-057TYR-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-24.8450)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLU-059ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-99.0614)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ILE-037TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1125)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ILE-078ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3473)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-037PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6253)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-039ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7550)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-040GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9516)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-041VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0751)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-135ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7324)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-029PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.4923)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-099ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6943)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-103HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.9375)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-168TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-030TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-036PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.7749)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-118ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-217THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.1595)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026THR-031LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4022)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026TYR-062ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9466)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026TYR-069TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.7953)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026VAL-041GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.3335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026VAL-041GLU-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.1261)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ALA-074LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8030)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ALA-102ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3155)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ARG-049GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-96.6478)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ARG-055THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.2677)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ARG-094ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-97.3566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ILE-039THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5920)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ILE-046PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ILE-075LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4835)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027LYS-089LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7125)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-030ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4607)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-057VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.0208)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-069SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.0172)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-071VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8821)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-078GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.5534)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PRO-032MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9878)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027SER-034ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027THR-036SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-5.5296)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-070TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.4270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-085ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-086TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3571)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-088ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.0592)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-090THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4438)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ALA-038VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.1490)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ALA-041VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.2518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ARG-031GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-17.5506)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028GLU-072HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-24.5674)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028GLU-097LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-114.1958)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-036LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4993)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-091VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4501)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-106VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.8215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-151VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8243)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-037VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7107)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-055LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.2219)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-058ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8437)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-059ARG-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7434)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-061GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-133PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6699)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LYS-067TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.5571)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LYS-317ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-21.0820)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028MET-031ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.9706)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028MET-037ARG-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7547)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028MET-040HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.4256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028PRO-058LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7192)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028PRO-111LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0145)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028SER-055THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.6846)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028SER-056GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.7446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-031THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=2.4096)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-036MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=1.6583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-038VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5915)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-058PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.3383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-085GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4466)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-086ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.2164)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-105PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7344)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-128PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.2069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-170LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.0901)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ALA-274ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6502)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ASN-034LYS-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-27.1888)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ASN-179SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.1962)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ASP-070ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=81.9431)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029GLN-033ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=5.1714)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029GLU-045LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.3457)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029GLU-055SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-18.8040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-034VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5140)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-036PHE-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.0533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-040GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6927)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-045GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1689)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-095TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4249)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LYS-035GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.5552)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-094LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9290)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-101TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5266)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-103HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-168TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.1422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-177ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1431)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PRO-085GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-10.7386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029THR-121TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029THR-121TYR-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.4909)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-302SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9700)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-305ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.6323)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-308ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-8.8110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-315PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.0124)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TYR-049GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.2895)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029VAL-036VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5007)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029VAL-054LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.2512)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029VAL-087LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.0182)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ALA-274ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8143)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ASP-320ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-101.2424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLN-034TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.7569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLN-034TRP-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.3902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLN-036MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.0577)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-033GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-15.9829)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-034ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=67.4301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-038PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1445)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-042PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-049PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-5.4180)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-061LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-115.1575)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ILE-034LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5831)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ILE-055ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=1.3266)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ILE-093TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1098)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LEU-034LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5673)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-078TYR-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-7.1398)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-083GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-119.0580)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-085GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.6712)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-169THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-16.1771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-042LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8014)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-044ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8600)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-061GLU-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-151ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.5758)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PRO-057MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.2204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030SER-109GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-17.7525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030THR-121LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.9840)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-033THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-036PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.2568)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-042GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-20.7254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-046LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.8049)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-073PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1286)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-079LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4830)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-103PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.5677)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-171THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7927)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-176SER-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-5.7865)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-212GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-17.8666)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-213GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.9237)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-216SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2023)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-217THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0873)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030VAL-033VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.0318)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030VAL-044LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5073)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030VAL-050ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8115)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ALA-088VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3142)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ASP-034HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=20.1363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-035LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9490)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-037SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-5.8210)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-109LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6130)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-125LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9562)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-128GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-15.4307)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ILE-034ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ILE-097TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1246)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ILE-246ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.1299)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-091LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-125LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5639)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-168LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6754)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-213GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.5356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-060THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8191)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-061ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1206)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-062HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3274)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-076ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-092TRP-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.7178)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-095TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.4046)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PRO-097VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031THR-085GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-17.1622)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031THR-128PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6053)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-060ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-23.4088)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-164VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.8912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-168GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.4140)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-168GLN-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.3027)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-171ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3143)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TYR-037PHE-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.9319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TYR-048HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.4322)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TYR-051GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.4961)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-056PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8731)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-068LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9476)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-071VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6344)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-073VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5855)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-077ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0942)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032ASP-040HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.7653)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLN-116ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-21.2473)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLU-035ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-114.9970)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLU-169THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.3502)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLU-169THR-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-17.0285)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032ILE-036GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7484)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032ILE-065LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.8239)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-080GLU-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-107.5863)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-083LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8830)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-091LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.6370)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-091LEU-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5499)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032PHE-058ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.2513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032PHE-081VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032PHE-095LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9831)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032SER-057GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-16.2544)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032THR-093LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7115)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032THR-094LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8909)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032THR-128LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3515)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-062ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.7486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-073PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.0994)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-074VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9179)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-083ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-7.6072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-042ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.4853)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-052VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1937)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-056HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8436)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-068LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4767)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-080ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.3075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-100VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.2580)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ARG-189PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.2309)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ARG-191LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7291)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ARG-191LEU-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.1971)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ASP-276SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-17.5136)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ASP-279LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-122.0375)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ASP-279LYS-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.7412)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033CYS-047TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.3242)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033GLN-092ASN-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-7.9394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033GLU-036ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-116.8456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033HIE-060MET-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.3123)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033HIE-062THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=4.6555)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ILE-037ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9389)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ILE-061VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-053VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6994)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-059ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8530)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-061PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9878)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-089ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7167)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033PHE-058PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033THR-100GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.0379)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-062HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9362)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-091ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-8.2374)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-094ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6451)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-094ILE-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4025)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033VAL-048ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8148)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033VAL-055VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.2997)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033VAL-091ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ALA-133LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8862)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ALA-152GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.0796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ARG-060TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-15.8134)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ARG-064LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.8117)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASN-076SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6080)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASN-078TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.1736)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASP-037PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.8778)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASP-061ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-82.1969)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034HIE-057HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2717)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ILE-037TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4082)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LEU-038TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1824)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LEU-044TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-068GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-108.6785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-070TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0629)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-070TRP-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0369)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-086TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5721)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-086TYR-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-6.8004)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-045TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.6892)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-058CYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.8893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-062HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9214)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-069MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.1461)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-072LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9046)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-100VAL-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.3705)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PRO-065ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7610)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PRO-075PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4143)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034SER-105LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5226)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TRP-037TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.0357)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-136ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-143MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.9939)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-148VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5726)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-277TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.5712)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-046LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4437)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-048PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6798)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-072VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-077LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.2896)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-111LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9100)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ALA-065LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ALA-067ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.2933)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ARG-041THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-13.1483)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ARG-042VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7798)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ASN-172GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-10.5022)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ASN-174TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1939)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ASP-046ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-98.7742)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035CYS-038CYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=2.7168)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035CYS-154THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.4706)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035GLU-189PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035HIE-059ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0618)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035HIE-059ARG-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-6.0464)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035HIE-061ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.2818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LEU-061PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8198)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LEU-085LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LYS-083TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.3288)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LYS-090GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-5.9988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-047TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.4261)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-062THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.8401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-097LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3738)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-111PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.1639)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-128PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.5174)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035THR-112LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.7539)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-045HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.2303)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-058PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.0298)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-064ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-157VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4644)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-161LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-16.3449)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ARG-042GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-109.7824)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ARG-162GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-18.8251)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036CYS-039CYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.2911)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLN-040HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.1340)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLN-105LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-039ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-118.7211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-039LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-113.8448)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-045LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1408)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-053VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6062)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-056ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-81.6138)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036HIE-063LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.8120)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ILE-040THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.7595)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ILE-061ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ILE-063TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7100)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-039MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-041ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-046PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-046PHE-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6031)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-047TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.0004)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-098ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5933)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036MET-049LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.0553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036MET-054VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=3.2350)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036PHE-075SER-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.2179)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036PHE-113ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-5.2540)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036PHE-303TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.7506)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036SER-069THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.1981)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036THR-090GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-19.3577)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036THR-104MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036THR-133PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5177)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036TRP-047PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1222)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036TRP-049PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036VAL-060TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3873)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036VAL-070TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.2574)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036VAL-086TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ALA-056ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ARG-152GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-119.1216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASN-040THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=3.1346)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASN-067GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-6.1259)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASP-040ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-79.5796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASP-064TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-18.5684)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037HIE-050GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-24.1671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-116PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7561)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-125LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8264)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-162PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6436)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-165VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3481)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037LYS-162PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0028)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037PHE-048HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.7706)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037SER-043ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-6.2407)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037THR-053ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.6462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037THR-085LYS-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.8240)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-050ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.5142)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-053LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-055LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-14.8399)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-055LYS-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8974)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-046THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-050LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.7074)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-066LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0357)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-068VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9972)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ASN-199LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ASN-202PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.0939)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038CYS-095PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2449)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038GLN-042ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-21.6667)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ILE-085ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ILE-094LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.1269)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-045PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8100)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-047TYR-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5522)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-054LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5288)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-109SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-109VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.1654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LYS-047PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.2050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038MET-041LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038MET-146PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.4497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-042PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.1455)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-042VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9901)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-046ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.1949)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-049PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-061VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6884)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-061VAL-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-101PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PRO-108ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.8447)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038THR-053PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-063TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.7667)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-065PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.6975)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-068TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.2057)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-073ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5378)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-078ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8672)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-081TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.7627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-082ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3221)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-132ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TYR-060TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.7728)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-041VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.2068)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-072PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.7000)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-082PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7992)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-083ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.1645)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ALA-095PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.1915)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ARG-043ASN-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=5.0427)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASN-042ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-21.9838)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASN-081SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6975)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASN-083TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0023)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASP-057THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-17.2045)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039GLN-047ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-16.2328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039HIE-057HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=8.7270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-054LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0030)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-055TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0634)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-108ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8165)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-109CYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=2.2817)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039LYS-043HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0680)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039PRO-165PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.2840)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039PRO-166ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039PRO-199LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.2307)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039SER-054GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-17.7014)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039SER-067GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-19.0326)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-046THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-5.1771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-077LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.2919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-079LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8062)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-083VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3364)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-052SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.9542)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-064VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1554)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-066LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9233)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-066LEU-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.1849)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TYR-043ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.9808)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039VAL-083TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9787)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASN-073PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.8943)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASN-077TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.2923)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASN-090ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-10.4019)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASP-065THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=2.1611)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040GLU-045GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-18.7916)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040HIE-103HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-9.9787)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040HIE-105LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ILE-054VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4198)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ILE-057LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040LEU-063TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0455)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040MET-085ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.6411)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040PHE-052TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.3698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040PHE-116PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.2340)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040PHE-133PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.7248)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-044TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3466)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-048VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-162GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6610)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-186TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-270TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6780)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-052GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.3314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-055LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6843)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-121ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.2983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-121ILE-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-122THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.3989)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-045TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.6090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-055VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0174)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-076VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2257)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-079ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-082PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0849)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040VAL-063VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3509)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ALA-047TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.3918)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ALA-081GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0029)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ALA-121ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3575)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ARG-051PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.5729)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ASP-084ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-92.7626)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041GLU-045LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-107.8155)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-058ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.2035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-061PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6777)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-107PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4162)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-107PHE-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-146PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6354)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-155PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8246)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-162PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-170TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6100)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LYS-045GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4793)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LYS-107PHE-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.3468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LYS-110SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-19.0384)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-047SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5968)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-054HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.5101)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-073ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6409)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-077LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8845)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-094LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-6.5728)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-094LYS-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.2012)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-104VAL-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.7412)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041VAL-059LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7245)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041VAL-064LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.1935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ALA-082ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.1795)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ASP-045THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-19.5063)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-095PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-5.1771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-101PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.3463)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-103PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-6.7357)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-121ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.8025)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ILE-049PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8626)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ILE-052PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ILE-056PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.8505)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-047ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4705)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-048ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9987)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-048VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8585)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-103HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7437)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-105LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4831)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LYS-049GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-123.4332)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-049PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-054PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.0564)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-056SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1079)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-061LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-064LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2544)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-074LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.1332)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-077PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.7085)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-085PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6800)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-087LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2147)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-088ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.6118)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-089ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1516)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-089MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.8721)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-092TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.7061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-101VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9653)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042SER-058ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2148)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042SER-062ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=3.8158)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042THR-052ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.5076)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042TRP-049ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-12.4368)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ALA-073PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5076)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ALA-077TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2276)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ASP-054HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-25.2457)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ASP-058ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-119.4300)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ASP-062TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.0919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043GLU-104ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.2265)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ILE-055LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.0717)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-050PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8027)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-055THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5151)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-071PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8129)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-114SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4875)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-161TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.0815)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043MET-048ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4247)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043MET-060VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6793)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043PHE-065PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.7016)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043PHE-068TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.0266)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043PHE-073PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3774)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043THR-059LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-048GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.6773)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-049THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-068LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.2497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-185HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.7236)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-186TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.4839)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043VAL-066LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.2753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043VAL-069VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ALA-052ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0200)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ASN-048THR-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-5.5476)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ASN-059THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.1673)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044GLN-061LYS-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-28.2969)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044GLU-084ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-95.1064)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044HIE-067HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.8197)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044HIE-073TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.6507)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044HIE-086GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-25.3583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ILE-101HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4209)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-079VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-101ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5141)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-272GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.0283)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-272GLN-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9227)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044MET-061VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6724)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044PHE-048LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044PHE-130VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.0227)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044PRO-053ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.7484)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044SER-093ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-14.2347)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044SER-118ARG-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-10.6753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044THR-118TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2317)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TRP-048TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.6483)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TRP-085PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.1304)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TRP-147TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4937)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-048LYS-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-15.8545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-059ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1859)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-077LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5407)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-109LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4148)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044VAL-174MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4474)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045ALA-054HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6920)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045ALA-071HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.2017)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045ASP-081GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=89.3097)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045GLN-062LYS-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-24.3852)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045HIE-051GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-23.5343)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045HIE-053ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.1159)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-049GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.0808)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-049TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.0897)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-054PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0752)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-055ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.8207)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-070PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0881)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-097LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LYS-048GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.6347)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LYS-084GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-72.2712)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-057GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-7.6642)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-061VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4713)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-066PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.8871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-075LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-10.0645)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PRO-080VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4209)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PRO-100VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5728)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-048ALA-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6014)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-066VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4593)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-097SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4098)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-168LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1049)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-048ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9089)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-049ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-100VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9136)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-272GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.7562)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TYR-053THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9995)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-050ASP-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-95.6314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-092TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.9434)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-182GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-76.9512)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-273GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-114.4536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ASP-083ASP-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=55.3482)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ILE-071GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6348)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ILE-074LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=10.4643)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046LEU-068ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4377)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046LEU-103PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0243)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-050LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.9427)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-084LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.8423)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-088MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.8150)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-107PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.7809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-119GLN-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-121LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6941)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-161TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.2735)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PRO-140ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4316)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PRO-141ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046SER-054PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.2681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046SER-088ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-6.0147)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046THR-069ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.1009)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046VAL-094PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ARG-050GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-82.0486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ARG-059MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3565)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ASN-062LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6465)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ASN-276PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1186)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ILE-064LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3843)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047LEU-055LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.2809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047LYS-059ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-114.2918)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047PRO-164TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9164)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047SER-065PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0516)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TRP-081GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-9.3760)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TRP-083TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.0290)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-052PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1662)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-053ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=1.4571)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-055ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0898)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-058TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.1694)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-075ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.8997)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-077HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8760)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-111PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6783)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-136TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=2.7211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ARG-060MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ASN-052ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.7380)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ASP-081THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-19.5700)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ASP-131LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-115.5084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048GLN-070SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8473)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-052PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-091ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-6.2385)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-099HIE-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.9574)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-174MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.6856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-178ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-26.4383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ILE-052ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9505)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ILE-272GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9203)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ILE-279ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9755)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-070PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0602)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-070PHE-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0959)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-074TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.7903)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-074TYR-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5570)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-077GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6736)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-141PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2735)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LYS-082ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8124)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LYS-098GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-110.4470)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048PHE-058PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.8865)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048PHE-101LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048PHE-105TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.8106)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048VAL-093THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.1748)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048VAL-095LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5894)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048VAL-099ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7105)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ALA-092TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ARG-167GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-20.9697)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049GLU-080ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-92.6976)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ILE-059ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.3848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ILE-070PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0043)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ILE-100VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6423)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LEU-054VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LEU-107PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6594)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LYS-121LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8555)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LYS-158ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-6.6180)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-056PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6896)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-057GLN-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.2588)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-091ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1522)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-093VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.7695)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PRO-052TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9910)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049THR-053LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6487)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049TYR-054PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3585)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049TYR-098GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=3.5204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049TYR-102ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.4994)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-053THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5808)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-124GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7057)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-127LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2095)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-131VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6503)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ALA-081PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0348)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ARG-054THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-12.1392)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASN-083TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3623)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASP-053THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-18.8121)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASP-067PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.7284)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASP-092TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-24.1732)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050GLN-055TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-5.7658)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050HIE-065PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.2658)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050HIE-087TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-10.6529)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ILE-053ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5927)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ILE-071PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8036)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ILE-079VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.0809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050LYS-056GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-112.0162)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PHE-071PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PRO-053TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5451)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PRO-058PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.7408)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PRO-096TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.3083)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050SER-066PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050THR-143THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.2191)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050TRP-054GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-6.6908)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050VAL-054THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=1.6978)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051CYS-154LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-7.8875)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051CYS-156THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=1.9440)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLN-089GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-5.4318)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLN-089GLU-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-24.7532)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLN-098TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.4719)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLU-056MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLU-056MET-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.3084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051HIE-277ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-23.9309)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051ILE-068LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0614)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-055ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.9210)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-080ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9406)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-096TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.8524)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-131LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9834)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-058VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4003)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-091ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-5.6387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-091ARG-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.8453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-175PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2876)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051THR-152PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2126)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-093VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5318)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-095LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-097ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-7.2893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-097ARG-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.3811)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-107PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.2632)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051VAL-071ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6808)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051VAL-104ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ASN-061ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-7.0140)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ASN-143THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=1.6760)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052GLN-069ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-10.0509)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052GLN-117PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1023)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ILE-056GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ILE-087VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.2011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ILE-100VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.1875)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-060LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4971)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-062PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5899)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-062PHE-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5522)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-070PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8726)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-141PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-152PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7306)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-056MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.9742)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-061CYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-071PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3126)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-073THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3130)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-075ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3543)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-111PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3377)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-141MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.4075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-148ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-157ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3193)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PRO-109LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6415)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052SER-063PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1257)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052TYR-058PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.7851)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052TYR-061ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-24.8121)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052TYR-116PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9331)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052VAL-057SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.2822)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ASN-063SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.3919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ASN-131VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4126)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ASP-058TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9278)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-066LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.0769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-069PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-075LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.1652)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-077LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7150)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053LEU-057PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0320)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053LEU-091ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6737)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053MET-140ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-6.0470)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053SER-089GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-19.6329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-059LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4987)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-083ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-25.4002)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-092TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.5591)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-094LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.0306)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-142ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-169MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.6749)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-057ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.2865)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-068PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5203)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-074ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7609)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-117PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5844)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054ASN-069PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.6151)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054ASN-141ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=1.9258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054GLU-057ARG-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-94.0867)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054GLU-058ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-117.9711)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054GLU-141GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-13.3156)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054ILE-074ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.3478)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-061LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-063PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4481)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-069VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4180)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-091LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-091LEU-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.4111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054PHE-101ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054THR-057ASP-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=1.0824)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054VAL-091ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.1840)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054VAL-097ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4921)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASN-058GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-5.3376)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASN-058TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.7953)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-069ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-118.0271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-104LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-86.6303)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-105TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-10.5960)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-185ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-112.2769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055GLN-272GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=5.8899)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055GLU-121LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0716)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-059ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7589)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-061CYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7962)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-151THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-155ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=1.1790)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055LEU-060VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7757)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055PHE-139ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1221)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055PHE-141GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055PHE-141GLN-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.8200)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055SER-071PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5805)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055SER-152PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9120)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055THR-072THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.3689)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055VAL-059ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5802)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ALA-061VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5343)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ALA-175PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8138)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ARG-061LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4039)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056HIE-287LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0657)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056HIE-287LEU-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3573)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ILE-059PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ILE-059PHE-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056LEU-069LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4682)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056LYS-160ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-109.7703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056MET-059MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056MET-181ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9275)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056PHE-062PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4685)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056PHE-129PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.0043)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056PHE-152PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056SER-076LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5355)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056TYR-062TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.9059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056TYR-064VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.2145)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056TYR-084ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9845)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057ARG-067VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4602)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057GLU-061ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-88.8133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057MET-060MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1704)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-060LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-066ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3115)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-098VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6942)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-116PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2593)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-163ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2921)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PRO-063TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6423)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057TYR-091LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.7428)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057VAL-084ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.5725)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057VAL-084ASP-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.2981)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057VAL-181ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1708)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ARG-062LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ARG-141GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-10.2616)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ASP-279LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-108.8659)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058GLN-067PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6750)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058GLN-067PHE-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1322)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058HIE-067GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.7226)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058HIE-115GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.3584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ILE-097TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LEU-071VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LEU-084LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.1334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LEU-094GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7900)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LYS-122VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.3604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-062ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9801)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-062TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.6842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-070TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.1191)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-081PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.4254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-101ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.5901)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-131VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6113)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TRP-084SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.5853)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TRP-180SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-062GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-062GLN-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.6011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-062LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-8.5766)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-066VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7693)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-068ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7548)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-077ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058VAL-085ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.2809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ARG-065MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5761)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ARG-067GLN-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-23.4374)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ASN-062LYS-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-27.5001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ILE-068ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ILE-094LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6443)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LEU-117VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8561)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LEU-117VAL-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3049)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LEU-119GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6972)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LYS-063ASP-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-116.2445)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LYS-075TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-7.4903)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LYS-135ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.4964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-063ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.9144)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-118THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3503)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-120TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-127ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059THR-088TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0516)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059VAL-084LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9939)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059VAL-136TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5519)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060ALA-081LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7066)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060ASP-165ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=77.5960)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-068PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-095PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0076)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-095PHE-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9754)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-098VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5150)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-120VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1374)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-152PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1287)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060MET-070GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.6192)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060THR-087LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-17.9597)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060THR-176ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-12.8349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060TYR-064LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060TYR-128PRO-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.7322)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060VAL-063TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060VAL-157PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8943)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ALA-080ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.1801)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ARG-083GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.6313)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ARG-083GLU-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-91.8006)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ARG-084LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ASN-065ASN-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.9489)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ASP-065LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-6.6304)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-080ARG-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-78.2305)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-088PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-5.1423)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-142MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-8.1966)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-145LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.8432)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-064PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7977)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-086ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-089MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4281)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-091ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.0973)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-092TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3819)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-098LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8042)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-155ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.6930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061LEU-065MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6046)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061LEU-079ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4156)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-068VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6756)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-086VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-086VAL-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-099ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.4167)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-117VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7995)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PRO-088PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4405)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061THR-081THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3693)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061THR-083GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-15.8767)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061TYR-066LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.3198)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061VAL-064TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3891)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061VAL-066VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.2736)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061VAL-068ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ALA-070MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2897)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ASP-080ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-86.8107)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-110GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-6.7878)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-112PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-171PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=1.8507)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-173TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.6871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-173TYR-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.8585)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-070GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-8.0369)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-072LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9946)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-073TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=3.8696)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-076ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7910)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-067ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3407)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-069TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.2406)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-105TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5466)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-107PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9117)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LEU-075ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3590)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LEU-077ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7187)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LEU-079LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LYS-067PHE-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9106)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LYS-147GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.5042)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062PHE-120TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9732)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062PHE-128PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.1173)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062THR-099ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-9.7926)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062THR-102HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3634)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TRP-073ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.8388)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TRP-164PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.4403)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TRP-166PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2704)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-077PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.4689)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-083GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-22.5312)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-084ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1722)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-093ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-095TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.4414)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063ASN-081THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.3238)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063GLN-067ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=12.3971)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063GLN-136TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.6154)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063GLN-165ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-9.9838)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063ILE-077LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3737)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063LEU-068HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5193)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063LEU-108LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063LEU-140LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.2585)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-090GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7558)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-090GLN-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0434)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-091ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9436)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-094VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0322)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063THR-092TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5039)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-081TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=1.0912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-085MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.5714)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-098LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4426)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-136PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6341)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063VAL-067LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5511)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063VAL-154THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6016)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064GLU-111TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6038)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-072PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4297)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-084TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.0937)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-084TYR-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.2421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-090TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2128)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064PHE-097PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3773)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064PHE-123THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0729)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064PHE-125TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.2024)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064SER-171PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=1.4723)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064THR-116PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-068LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-5.2616)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-078PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.6137)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-082VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2620)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-083LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0078)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-164PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.8364)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064VAL-073ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.1991)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064VAL-143GLN-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.8598)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065ALA-070PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7933)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065ASN-110GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.5009)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065ASP-110GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-5.3335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065GLN-088TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3724)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065LEU-077VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6259)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065LEU-080VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0781)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065MET-117PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.2844)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065PHE-095LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065PRO-101LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5929)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065PRO-111TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.9944)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065SER-068TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.4205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065SER-108TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9889)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065THR-069ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5992)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065THR-082LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2404)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065TRP-146THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1124)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065TRP-154THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6623)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065TYR-090PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.0094)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ALA-084ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ALA-136TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3238)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ARG-167GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-118.2877)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ASP-069ARG-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-93.3668)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066GLN-070ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.8577)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066HIE-069GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.6818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ILE-146VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6904)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066LEU-073PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0728)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066LEU-138THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5493)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066PHE-075LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8434)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066PHE-109SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.2769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066PRO-095TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.3884)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066TRP-109TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.8249)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066TRP-110PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066VAL-085ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.1437)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067ARG-077ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.1394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067ASP-070ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.4279)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067GLN-115GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-5.9999)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067GLN-117PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.6921)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067GLU-139TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.0203)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067HIE-070HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.8248)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067HIE-086GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.5559)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067LEU-078LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067LEU-107LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6650)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067LEU-109VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5596)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067PRO-095TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.6390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067PRO-101ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6500)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067SER-073TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067THR-080TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0895)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067THR-082VAL-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9176)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067VAL-085ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=1.6920)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ARG-072THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-12.4184)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068HIE-075LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-10.6183)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068HIE-080GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=1.3429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068HIE-123ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-25.7207)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ILE-072LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.2604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ILE-084TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9044)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ILE-091LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.0952)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068LEU-081VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4852)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068LEU-146PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1711)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068MET-131LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.2352)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-076LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.0316)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-076LEU-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2507)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-077ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-077VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8505)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-080LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-080VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0128)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-083LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-110LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068TYR-073ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9755)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068TYR-078ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.3254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068TYR-082HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.7275)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069ARG-075ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.0309)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069ASN-119VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7488)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-076ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9927)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-076ILE-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-6.6250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-078ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-117.2457)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-123ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=61.4428)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069HIE-075ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7537)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069HIE-078PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.2256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069ILE-101ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.4254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069PHE-078GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-5.9752)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069PHE-080TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.3453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069PHE-166TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=1.5387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069THR-080LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5503)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-073TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.6941)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-086GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1350)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-086ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6280)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-114VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4894)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070ASN-080GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=7.4342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070ASP-076THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-15.1427)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070GLU-073LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9609)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070GLU-073LYS-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-92.5237)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070MET-075ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070PHE-120TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.6730)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070SER-082VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8605)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070THR-120ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=5.4673)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070THR-124THR-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.6200)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070TRP-084VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0426)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070TRP-138LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.4865)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070TRP-174PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.3731)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071ASP-074LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.0175)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071LYS-195ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.3470)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-080ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9972)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-080LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-086ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-108ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0631)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-114SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3283)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071SER-082HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-5.5866)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-076LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2568)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-078GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.9319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-099TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-6.4889)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-100SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9060)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-125PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.2293)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-165ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.2778)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-166TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.2830)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-077ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-083ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4903)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-085ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-119VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.0828)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ARG-116ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-93.8356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ARG-118TYR-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-6.0405)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ASN-075ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-18.5426)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072HIE-093TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.0171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072HIE-095PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.1156)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-077PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3773)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-082HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.8080)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-116PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9808)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-116PHE-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5491)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072THR-175GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9257)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072TYR-076ARG-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4397)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072TYR-127ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5398)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072VAL-176PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6984)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ARG-076LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.3070)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ARG-119ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-102.7934)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ARG-163ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4576)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ASP-135ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-110.9712)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ASP-193VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.4361)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073GLU-077ASN-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.2796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073GLU-119SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-19.0321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ILE-128ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073LEU-120TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073PHE-077TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.6687)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073PHE-079LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7423)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073SER-090SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5549)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073SER-178SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.2509)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073TRP-089TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.2794)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073VAL-111ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0625)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ALA-083TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8950)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-130TYR-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3007)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-135SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2952)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-135SER-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-12.3991)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-136GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.6296)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-147TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.7460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-147TYR-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-5.9696)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074GLN-094ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-5.7895)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074GLU-096ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-61.4156)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LEU-079TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1290)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LEU-102PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3092)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LEU-107PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.3890)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LYS-127ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074PHE-080LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.2840)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074PHE-083HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.8002)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074SER-091PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6630)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074SER-111GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-20.5611)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074VAL-080TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.4059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074VAL-083ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8535)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074VAL-190LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4066)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075GLU-079GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-12.6668)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075GLU-079GLU-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=75.8114)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075ILE-080ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7172)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075ILE-112LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4725)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075LEU-094ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5666)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075LEU-111LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3045)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075LEU-111LEU-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3289)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075PHE-093PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6565)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075PHE-182ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.2196)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075PHE-184PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2927)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075SER-078TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4765)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075SER-111ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-16.9880)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075TRP-176ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.4745)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-079GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-96.6897)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-120TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.6772)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-208TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6813)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-208TYR-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-5.9978)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-084LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-089TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-25.7975)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-091PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3680)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-188GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-20.4731)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076GLU-170LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.8009)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ILE-094ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076LEU-086MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.1409)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076LEU-117ILE-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.0150)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076LEU-123THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4911)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076PRO-111TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9408)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076PRO-112LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.0074)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076SER-082PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4477)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076THR-090SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-5.3556)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-125ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.3386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-125ILE-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2986)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-136TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.8626)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-139ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.1012)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-143TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-5.1827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ALA-096ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ALA-138ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ALA-138ARG-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.1191)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ASP-080ARG-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-85.3498)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077HIE-111LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0100)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-102PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-112ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7534)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-125VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-128TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0651)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-128TYR-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4904)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077LEU-093VAL-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.0795)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077LYS-178VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.5111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077LYS-186ASN-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-19.3541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-089PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.5249)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-093ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.1400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-097LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-116PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.7350)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-160VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-162PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2730)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-201ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-6.4420)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-205GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-8.7634)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078ALA-126VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078ASP-157LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-104.2284)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLN-085LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4259)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLN-088GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-20.7303)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLU-099THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.1838)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLU-127GLN-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-23.4443)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078HIE-081PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6273)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078LEU-108VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.2752)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-082VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1203)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-096ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-104TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.4664)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-107ALA-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-108LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0788)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-179LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.0332)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-215ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9757)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-218LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8043)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-218LEU-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.2483)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PRO-115PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4426)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PRO-186ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.5781)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078SER-184PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.7038)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078TYR-082PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.9239)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ARG-083ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-97.9500)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ARG-182ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-110.6361)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ASP-131HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-27.4944)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ASP-135ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.8949)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079PHE-089PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3881)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079PHE-100THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.7476)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079PHE-104LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3506)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079SER-088ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7475)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079SER-208TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4454)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079THR-089LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9831)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079THR-089LEU-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3895)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079THR-110THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-5.2122)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-084PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.3552)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-109VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-112LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7101)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-112LEU-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0670)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-146PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.4843)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-153TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.7402)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-167GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=1.5115)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079VAL-087LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.2961)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079VAL-094ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3283)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ARG-088PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.8222)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ARG-090ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.3461)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ASP-087LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-112.2449)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080GLU-092ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.2249)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080GLU-155ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-119.2129)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ILE-112LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5129)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080PHE-085LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.0267)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080PHE-098SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5146)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080PHE-166PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9677)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080THR-090ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.0858)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-088LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-090TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.1429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-095ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.0079)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-108LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.4584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-136ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TYR-129TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.1764)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TYR-172GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=1.2782)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ALA-088ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASN-084LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.7931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASN-085SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.2977)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASN-100TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-5.9193)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASP-092SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-18.6971)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLN-085ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-22.4021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLU-101ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=5.6659)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLU-103GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5591)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLU-103GLN-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-13.8531)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081HIE-202PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.9707)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ILE-085ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.6485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081LYS-105VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.8940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-106CYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=13.1556)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-134GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4611)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-134GLU-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-8.7615)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-138ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.8597)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081SER-087PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3979)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081TYR-085ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081TYR-130VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6120)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081VAL-105TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8160)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081VAL-149HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3495)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ARG-088PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9530)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ARG-088PHE-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.5467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-121LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5233)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-135ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8495)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-136PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5269)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-186VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8963)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082LEU-176PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7643)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082PHE-091ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=1.0582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082PHE-102TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.8353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082PHE-104VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-108LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4120)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-126SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5313)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-127PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.7862)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-130VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ASP-089HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-23.3651)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ASP-105TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=3.7762)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ASP-136ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-93.9734)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083GLU-094TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-7.3512)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083HIE-086GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-25.4226)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083HIE-089ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-25.1375)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ILE-155ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6914)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ILE-173LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4708)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-087LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1876)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-088TYR-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5982)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-101GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9307)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-108VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5022)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083THR-086MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.8189)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083THR-087GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2804)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083TYR-087PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.0036)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083TYR-094TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3559)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083TYR-096ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.7149)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-087LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-094PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8267)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-094PHE-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7317)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-103TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5231)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-140TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9939)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-153PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.2134)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ARG-089ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-87.5987)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASN-099LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4016)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASN-103TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-8.2646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASP-087PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.5211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASP-107ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-13.9622)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASP-126VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.4048)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084CYS-090LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-10.9112)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084LEU-090LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084PRO-122PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2392)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084PRO-135PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4381)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084THR-107PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.8235)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084THR-108TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8267)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084TYR-089ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.6936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084TYR-095LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2674)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085ASN-099TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4555)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085HIE-094TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.7475)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085HIE-101TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.6413)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085ILE-089ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4455)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085ILE-103LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-094PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-108LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4489)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-137ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1307)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-138LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7382)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LYS-088GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-111.5062)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LYS-094TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.2264)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085MET-136PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0731)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085PRO-090LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8381)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085TRP-089ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.9373)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085TRP-135LYS-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-7.2782)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ALA-101GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7628)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ALA-104TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ALA-136PHE-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.0460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-091ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-6.2049)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-092TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-6.5520)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-112TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-11.0119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-115ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-111.9642)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086HIE-089GLU-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=14.5440)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086PRO-090ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4354)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086SER-136TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.3342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086VAL-105LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6741)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086VAL-116VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6366)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087ALA-171PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.0075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087ALA-173TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3605)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087ASN-091LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=3.6659)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087CYS-119ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=6.5518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087CYS-121LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.1723)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087GLN-139ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-6.5247)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-095PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-095PHE-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1709)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-096TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0369)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-109VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4537)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-153PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.1753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087PHE-126VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6986)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087PHE-186VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4299)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087PHE-188VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0108)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087VAL-102LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.0180)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088ASN-092ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3051)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088ILE-135LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.2247)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088ILE-135PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4022)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088LEU-108ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5798)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088PHE-092LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9168)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ARG-106ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-92.4002)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ARG-108TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-12.2854)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ARG-131VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.2930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ASP-092PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-5.2191)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ASP-112ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-13.8675)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ASP-131VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.4825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089CYS-105LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089GLN-117PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.9368)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089GLN-125TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ILE-112TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089LEU-127VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9832)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089THR-098LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089THR-098LEU-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5535)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089TYR-094TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5676)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089TYR-153VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5690)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ALA-121PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5892)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ARG-187SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-7.8846)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090GLU-119ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-101.6520)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ILE-099LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ILE-107SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0873)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ILE-190VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3415)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090LYS-122ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-5.6963)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090LYS-122ASP-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.7182)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090PRO-129TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6052)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090PRO-154VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4913)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-095ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-8.3417)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-095ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2374)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-099ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8636)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-105LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7114)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-112GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=6.0497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-113ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.2909)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091ASN-096TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-7.0642)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-098SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.5127)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-118THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-118THR-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.5437)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-121LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.0167)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-122ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=11.3700)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-125HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0858)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-127VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8519)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091LYS-140SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8764)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091LYS-140SER-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-16.8950)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091THR-094HIE-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-6.4947)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091VAL-094ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.1160)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092ALA-164GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6840)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092LEU-095HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5066)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PHE-099TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.4996)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PHE-120VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7700)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PHE-131VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9474)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PRO-102HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4763)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PRO-133LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092TRP-100GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=22.9330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092VAL-117PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ALA-099THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7207)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ALA-164ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.4290)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ASN-096LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6140)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ASP-097THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-21.7902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093HIE-118GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.9096)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093HIE-120ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5655)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093PRO-184PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4898)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094HIE-099THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4058)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094HIE-104PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.7023)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094ILE-114TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9403)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094LEU-132VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8016)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094LEU-182MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8052)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094LYS-112ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-122.0616)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094PHE-098ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.2173)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094PHE-141ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6404)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094PRO-135MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8089)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094TYR-097THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3236)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094TYR-151VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8438)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094TYR-153VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6844)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094VAL-125TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8693)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094VAL-152LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.0814)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094VAL-166PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3579)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ASN-164ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-23.1622)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ASP-102TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=4.8253)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095GLN-098TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095GLN-185THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9091)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095GLN-187ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-6.0998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ILE-120TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6210)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ILE-120TRP-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9316)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ILE-144THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5417)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LEU-103ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4428)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LEU-130VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6341)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LEU-133LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6414)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LYS-107ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8732)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LYS-109THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-14.8393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LYS-127ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-6.1842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-099LYS-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.5158)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-118ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7824)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-154ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2299)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-160VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9154)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-160VAL-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4392)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095SER-114THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0954)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095THR-182ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=1.6927)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095TRP-099LEU-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4580)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095TRP-104VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7799)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095TYR-106TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.3726)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ASP-100ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-21.5832)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ASP-101GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-22.5139)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096GLU-121LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.1680)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-101GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.2594)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-103SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-5.4554)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-126LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.7390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-127ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=12.1168)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-132VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3380)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ILE-127VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3183)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ILE-127VAL-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.0795)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096TRP-110LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096VAL-105LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.2005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096VAL-108THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7428)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ALA-105LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5575)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ALA-117HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9202)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ASN-102TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.9251)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097GLU-101ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-103.3220)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ILE-105THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9101)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097LEU-111PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1058)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097LEU-113ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=1.5110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097LEU-128PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1433)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PHE-103ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.1283)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PHE-181TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.7082)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PHE-183ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PRO-106ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5117)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TRP-145LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TRP-173TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.0368)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TRP-213ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0365)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TYR-101TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.7054)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TYR-179LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.4819)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TYR-179LYS-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.5867)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097VAL-112TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7645)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098ILE-145ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5724)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-101VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9212)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-115SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9923)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-117ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4882)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-136PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8937)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-144VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-144VAL-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5398)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-146TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0230)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098PRO-101GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098PRO-102ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.0553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098PRO-114PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7449)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-112PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.0957)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-127VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.1541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-138TYR-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=2.6404)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-164ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-17.4872)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-101GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1160)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-105TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6607)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-152ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6821)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-286TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7885)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-287LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3263)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-102HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.4388)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-147VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.7459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-149ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5083)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-177ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-104.1435)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-216GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-87.5773)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099GLN-108GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.8934)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099GLN-148HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.3775)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ILE-103ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3639)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099LYS-104THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7764)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099MET-107ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9164)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099MET-126VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.2860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099PRO-104TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.7820)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099PRO-164PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0734)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099PRO-166GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.9791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099TRP-118PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099TRP-272GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-24.2875)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ALA-112PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5530)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ASN-113LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9220)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ILE-103HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ILE-104LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.8666)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100LEU-130VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6337)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100LEU-134ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3145)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100LEU-142LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3587)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100SER-119GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-20.4718)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100SER-131VAL-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0352)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100SER-148ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=2.2061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100THR-104LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5535)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100TRP-103LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-11.4216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100TRP-103LYS-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2956)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100VAL-283ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5772)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ALA-104ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.1072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ALA-128ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ALA-138TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4398)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ARG-142LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.0093)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ASN-125HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.2745)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ASP-145THR-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-18.7436)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ILE-110LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8379)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ILE-110PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5102)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ILE-123ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6751)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101LEU-111TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2311)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101LEU-125TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6913)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101LEU-132ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5298)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TRP-132VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9029)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TRP-135LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.6353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TRP-177ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8884)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TYR-151VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4013)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101VAL-106LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8676)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101VAL-132PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3434)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101VAL-132PHE-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2668)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ALA-114PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.1001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ASP-106SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.5587)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-109TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.7858)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-127GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7162)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-269HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.8756)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-270TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-272GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-5.4778)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-110ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4953)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-145ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-149TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1740)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-149TYR-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.0897)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-153PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7273)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102SER-165LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-8.1399)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102SER-169ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-18.0191)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102VAL-133PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8676)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ASP-149TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-22.2587)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ASP-269HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-11.0981)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLN-108PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.7237)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLU-106LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-112.9967)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLU-108TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-20.5887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLU-177ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=81.5707)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103HIE-168TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-11.1697)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ILE-110VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5362)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ILE-130VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5866)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ILE-132PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103PHE-122MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4668)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103PHE-127LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104ALA-125TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3073)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104MET-112ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9816)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104MET-133PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4362)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-107ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6914)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-129ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.2565)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-147LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4124)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-166GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-21.9836)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-168LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6170)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-169PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1053)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-202PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.0780)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-205GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1007)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104VAL-108ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6137)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104VAL-112SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5338)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104VAL-126ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ALA-115GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4898)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ASN-139VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0784)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ASN-146GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.9764)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ASN-154ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=5.0820)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ILE-128LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.1946)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ILE-131ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4780)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ILE-135LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6098)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105LEU-114TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9565)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105LEU-168ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9830)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105LEU-175PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5279)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PHE-127LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9166)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PHE-130ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.8386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PHE-130ARG-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6445)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PRO-128ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.2576)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PRO-181TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-8.2199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105TYR-149HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.4808)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106ASN-130HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=1.5296)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106ASP-133GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=5.0503)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106GLU-129LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-113.3012)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106ILE-168ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3237)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106LEU-126LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.2793)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106LEU-149PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5223)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106LEU-149PHE-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9700)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106PHE-109PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.2215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106PHE-178LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.4240)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106SER-128PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.5679)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106TYR-112SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0207)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106VAL-112LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6029)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107ASP-125ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-24.1166)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107ILE-153TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9037)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107ILE-158MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9967)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107THR-125ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107THR-129LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-18.1363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107VAL-147PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107VAL-147PHE-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8830)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108ILE-122VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6008)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108ILE-146GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108LYS-131ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3704)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108LYS-160LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.1908)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108PHE-125TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.7943)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108PHE-127PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6744)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108PHE-150VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9074)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108TRP-151ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108TRP-155VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6652)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109ARG-115GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-113.1580)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109GLN-161GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4514)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109GLN-161GLU-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-13.1201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-113ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.0337)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-181ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9063)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-182VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-185VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1164)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-228TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.6640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109SER-137ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=1.6873)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109THR-131VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1079)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109THR-158MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109VAL-164ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3461)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ALA-161PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6987)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ALA-164ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110GLU-129LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-114.5044)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-116PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0332)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-149ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0852)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-151VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9823)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-162VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110LEU-125VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3680)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110LEU-127ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-123ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.2446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-128PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6086)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-222TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.2976)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-226LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0972)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-226LEU-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1962)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110THR-127GLN-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-5.9212)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110THR-129TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-5.4665)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111ASP-156SER-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=8.4583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111ASP-193HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-10.3376)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111HIE-218LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.3725)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-116ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-130TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2634)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-158LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-169LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4352)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111TRP-115GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.2735)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111VAL-125ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4840)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ALA-128PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8029)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ALA-131VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8121)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ARG-115ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.8092)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ARG-125PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.0272)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ARG-127GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ASP-183GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=84.2590)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ILE-125VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.1279)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ILE-142ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9377)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112LEU-142PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112LYS-127LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9103)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112PHE-121LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4611)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112PHE-125HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3883)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TRP-119ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9667)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TRP-119ARG-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.0667)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TRP-120VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TYR-125GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.1743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TYR-128LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9165)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TYR-190ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-8.2740)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-118ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.0024)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-120VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-122VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.2985)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-225TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9897)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ASP-195GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-14.6037)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-131VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4877)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-164HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-185VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.0180)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-190ARG-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-232ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9380)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113LYS-117GLU-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.7239)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113LYS-170VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6732)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113LYS-173GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-123.7749)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113SER-120ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3945)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-119PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9917)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-124HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.8209)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-126ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9101)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-171ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-22.3179)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-178ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.2144)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TYR-124THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1137)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113VAL-120HIE-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9535)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113VAL-143PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8297)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114ALA-160ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4766)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114ASN-122ARG-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7883)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114ASP-179LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.5408)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114GLU-144ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-7.9071)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114GLU-146ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-120.2480)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114LEU-118ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114LYS-225TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9897)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114VAL-167GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.0236)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115ASN-124LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115ASP-156ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=83.6737)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLN-118ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.5916)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-123PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-123PRO-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.0192)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-160GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=62.3877)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-163TYR-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.2200)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115MET-168TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7418)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115PRO-129TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.5209)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115THR-138VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115THR-142GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-19.7636)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115THR-142GLU-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-17.8149)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115VAL-122MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6186)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115VAL-123PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7316)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115VAL-130ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.4886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116ALA-162PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1189)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116LYS-144SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-8.8204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116PHE-130VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3750)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116PHE-165VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8971)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117HIE-123PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117ILE-142PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0920)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PHE-125TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.0554)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PHE-130HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4013)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PRO-126ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7973)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PRO-129TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=1.0173)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PRO-130LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4498)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117VAL-166ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6297)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ALA-160VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.2138)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ARG-157ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=9.1124)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ARG-185ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=62.5299)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ASP-136HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-26.0187)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118GLN-121PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2389)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118GLU-173PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.5571)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118GLU-176THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6840)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-136VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-165ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-166TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1621)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-178TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0622)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118THR-121LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0046)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118VAL-162PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5305)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119ALA-160LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119CYS-168HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.4480)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119LEU-137ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.0834)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119LEU-137ALA-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3243)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119LYS-186VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6539)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119MET-144SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9688)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119PHE-124HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.6309)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119PHE-176THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0241)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119SER-123ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.8383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119SER-140TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5835)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119THR-123THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8794)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119THR-123THR-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3863)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119TYR-174ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120HIE-185ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8512)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120ILE-123TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4906)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-123ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4773)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-124ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.8683)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-124LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1676)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-135ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6937)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-171TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3872)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-171TYR-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6686)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LYS-138VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6996)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LYS-142ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-99.0199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120PRO-126ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4638)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120SER-136HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2326)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120THR-143VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.2841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120THR-147GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-19.9130)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120TYR-141PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120VAL-123ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7710)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120VAL-154ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120VAL-275LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4146)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121ASN-132THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1167)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121GLN-144ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-22.3300)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121LEU-125HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6991)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121LEU-125HIE-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7088)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121PHE-126VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1710)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121PHE-191LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121PHE-219TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6317)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121TYR-125LEU-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.0242)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121VAL-157ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122ASP-125LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.8979)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122LEU-188VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4669)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122MET-126GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-7.9920)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122VAL-125ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3104)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122VAL-143VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6103)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122VAL-152PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6094)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123ALA-128VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4347)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123ALA-158ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=1.9314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123ARG-127GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.7956)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123MET-140ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8340)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123SER-182ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6041)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123THR-136SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.0766)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123TYR-154VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9476)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123VAL-134LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3529)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ALA-156THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ASP-131THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=4.1435)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ASP-132THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-20.1143)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ASP-134ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-112.4254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124GLN-200ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8718)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124HIE-140GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-24.8093)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124HIE-143VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5079)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124LEU-136HIE-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124LEU-181VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125GLU-192PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-5.2763)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125ILE-136TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7195)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125LEU-129LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2070)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125PHE-143VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1761)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TRP-138SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.2503)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TRP-150VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TRP-152LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9220)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TYR-164HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.9291)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ALA-140GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8092)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ASN-129ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9288)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126GLU-130ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-104.6435)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ILE-136PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7291)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ILE-139PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2032)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ILE-139PHE-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.5712)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126LEU-130HIE-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0710)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126LEU-162PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126LYS-158ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5859)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126PHE-132HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5128)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126PHE-171TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.5520)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126PHE-176TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.7414)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126SER-171ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6470)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126THR-197TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2461)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127ALA-177ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.3005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127GLU-146ARG-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-97.3119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127GLU-269HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1433)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127GLU-269HIE-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=12.9335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127LEU-210VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3861)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127MET-131LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3522)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-132ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2272)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-133SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-138SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6060)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-140HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.5581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-158VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8616)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-183TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.2688)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-206ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0760)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-237ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9894)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-239PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.0169)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128ILE-131LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5404)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128LYS-183TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.4052)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128PHE-235LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128PHE-252LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5607)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128PRO-275LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9993)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128TYR-158MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.9306)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128TYR-160LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1483)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128VAL-160LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7722)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129ASN-132TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.6242)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129ASP-140HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-25.0041)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129ASP-148TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9972)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-155PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8717)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-192PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3916)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-195PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.0906)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-277TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.8365)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-277TYR-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129PHE-133VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8767)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129PHE-156ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-7.2287)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129PHE-166PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9684)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129TYR-133ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-8.4246)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129TYR-136TYR-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.3392)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129VAL-159PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1130)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129VAL-184PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6950)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130ARG-170TYR-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.0880)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130ARG-244ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130ARG-248GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-76.7641)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130GLN-134GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-17.0238)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130GLN-137ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.3189)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130PRO-135ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130PRO-139ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130PRO-180PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9620)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130SER-149HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-8.5147)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130SER-153TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-5.5909)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130VAL-139ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.3282)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130VAL-162VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5282)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130VAL-185PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ALA-140HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7465)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ARG-134GLU-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-79.6070)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ASP-147PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5361)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ASP-182PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.4906)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131LEU-136VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.0120)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131LEU-160MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6910)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131PRO-219VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5477)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131PRO-220GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.1559)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131THR-149LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5064)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ARG-136ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.5757)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ASP-156ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-102.6346)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132HIE-135LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9877)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132HIE-147ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-25.8412)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132HIE-149ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6945)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ILE-135PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8362)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ILE-138TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.1302)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ILE-146TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8727)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132LEU-198PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8920)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-162VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-174SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.8064)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-176VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-183GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9414)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132TYR-136PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.8183)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133LYS-136ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-102.9617)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133LYS-198PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3471)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133PRO-151ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-5.0866)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133SER-161GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-17.9146)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133TRP-143MET-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.4551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133TRP-148VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.7259)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133TRP-277TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=1.2529)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133VAL-137ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.7331)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133VAL-146TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9839)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134GLU-138ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-104.3558)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134ILE-147ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.8969)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134ILE-167LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3433)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134LEU-205TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135ARG-193VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.0224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135ILE-180PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7641)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LEU-139LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LEU-163LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.1993)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LEU-179LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.2743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LYS-157GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-105.3845)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LYS-177ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PHE-147TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.0673)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PRO-140SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7632)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PRO-144LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PRO-155PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135TRP-147GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-6.0981)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135TRP-208ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0815)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136ARG-142ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.2284)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136ASP-198PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-7.0628)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136ASP-201VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.1800)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136CYS-143PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.0740)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136PHE-141ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7379)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136PHE-146TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.0747)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136SER-144ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-14.3795)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136TRP-155CYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3442)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136TRP-165ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-22.8288)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136TRP-179MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4096)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136VAL-169LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6038)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137ARG-154TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.5581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137ARG-154TRP-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-6.7612)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137ARG-157GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-101.1220)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137GLU-143MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.9646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137SER-156ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8546)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137TYR-166SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.2342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138ARG-142GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-92.6047)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138ILE-156ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.8629)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138LEU-149PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138PHE-153PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.6099)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138SER-169VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7744)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138TRP-146PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.2599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138TRP-243LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.1506)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138VAL-144ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6151)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139ASN-154SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-5.1227)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139GLU-144LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-116.2511)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139ILE-143TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139LEU-204TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2637)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139PRO-180PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3307)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139TYR-148SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4574)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140GLU-143VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.8194)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140GLU-155THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-16.8577)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140GLU-156ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-118.9964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140LEU-168LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.0761)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141GLN-160PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8180)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141LYS-144GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-111.1203)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141MET-155ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141PHE-152PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.2360)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141SER-144ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-13.8654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141SER-154ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3245)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142GLN-154GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-5.4831)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142ILE-155LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3855)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142ILE-155LEU-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6447)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142ILE-185VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8565)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142PHE-170ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8206)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-147LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-9.0401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-148TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.8733)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-150VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.1539)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-160PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.9214)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-170ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.0301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-199THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2774)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-203VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8203)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143ARG-187ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-115.9668)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143ARG-188LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=62.5501)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143GLN-147GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-23.3940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143ILE-146VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4142)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143LEU-160ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.5699)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143TRP-146LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-5.0802)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143TYR-150ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.8515)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143VAL-147LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143VAL-152PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9490)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144ARG-147GLU-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-92.4207)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144ASP-150SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-15.3691)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144ILE-155THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8179)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144LYS-161GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-122.1296)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144PHE-153LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.0510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144PHE-155ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6439)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='145GLN-149MET-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=3.7614)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='145LEU-149PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8947)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='145THR-149PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5889)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146ARG-207GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-118.6074)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146GLU-158SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=9.2738)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-149PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.7204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-150LEU-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6705)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-150VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4267)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-164TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-165PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1222)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-199LYS-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.7349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146VAL-161VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146VAL-161VAL-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4272)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146VAL-165HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4649)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147ASP-171TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-25.3694)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147ASP-188LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-111.0727)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147LYS-203VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147PHE-159PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.7210)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147PHE-182PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147VAL-175SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7731)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148ALA-158LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5452)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148HIE-152GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.7657)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148ILE-202VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5173)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148ILE-204ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.3840)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148PHE-164HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.7126)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148PHE-165TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.3641)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148SER-163ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7527)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148TYR-170ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2017)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-167THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1492)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-171TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.9294)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-175SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.7825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-177ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-6.3507)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149LEU-152GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4242)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-159ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.8024)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-164PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-165PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.7414)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-169VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5230)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PRO-152GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.0988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PRO-152PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149THR-157PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8616)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149TYR-153PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.6960)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150ARG-157ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-113.0200)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150ARG-208ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.2049)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-153PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7891)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-154TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4737)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-159PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1687)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-167LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3900)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-170HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-202LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7589)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-203GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.4306)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LYS-158LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4757)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='151ILE-159VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.1209)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='151SER-159PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.0410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='151THR-163THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=5.5852)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152ASP-156LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-5.1687)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152ASP-158LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1985)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152CYS-197VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.7099)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152LYS-156ASP-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-115.2030)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152LYS-277TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.5535)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153ASP-156ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-67.1486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153ASP-200ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-106.1036)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153LYS-203GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-115.3651)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153PHE-163LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1283)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153TRP-158MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.7004)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ARG-204ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=61.8407)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ARG-208TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-10.7340)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ILE-159GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5253)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ILE-160VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4987)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154LEU-191TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1529)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154LYS-159ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154TYR-203GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=4.8650)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154TYR-207ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.4396)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PHE-197TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6339)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PHE-277TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.0277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PHE-284LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PRO-170TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2322)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-171ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-94.8175)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-172THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-14.4022)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-197GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-114.1205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-200TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.5887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-200TRP-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-12.2940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156SER-191TYR-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6798)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157ASP-202VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.2504)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157ASP-204ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-118.1368)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157ILE-160CYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2707)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157MET-181ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.2216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157MET-192ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9544)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157PRO-161VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9068)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157VAL-167PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158ALA-193HIE-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8701)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158ALA-284LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3369)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158ILE-164LYS-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158LEU-172THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.1585)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158VAL-169VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.1640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158VAL-205TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1266)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ALA-197TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5028)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159GLU-170LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.4256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-172TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5339)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-199LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7709)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-200TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4306)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-203PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3951)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PHE-206ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7077)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PRO-164VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4792)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PRO-178TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.5706)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PRO-192ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9554)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159VAL-180LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0249)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160LEU-164TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5034)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160MET-169LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0287)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160PHE-169VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160PHE-203VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161ARG-285ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-86.4412)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161ARG-288ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.0856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161ARG-292GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-119.5553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161THR-194VAL-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.1208)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161TYR-201ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.2080)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161TYR-204ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1166)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161VAL-170LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162ALA-174ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6514)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162ALA-175TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.1955)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-198PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0327)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-201LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3331)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-203VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6882)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-208ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.1587)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-284LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162PHE-168LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9152)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162PHE-207ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2707)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162VAL-167CYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8312)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162VAL-167TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162VAL-167TYR-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0557)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ARG-201LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.1991)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ASN-166ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.7010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ASN-196ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-5.6625)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ILE-166CYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5830)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163LEU-171ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5208)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163LEU-175LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.0661)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-174ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.0516)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-178TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.5916)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-180LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9197)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-180LEU-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1793)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-183LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-6.2920)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-184VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0694)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-187GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=4.0556)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='164VAL-171ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8355)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='164VAL-225LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5381)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165ALA-292GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.2509)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165GLN-224MET-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.8196)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165LYS-169ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-112.2426)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165PHE-169VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4235)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-168ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=3.2318)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-171VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5057)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-208ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8642)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-208ILE-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4634)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165VAL-177ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5147)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='166ILE-187ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4357)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='166PRO-171VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5313)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='166PRO-172VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3176)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='167GLU-187ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-116.8886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='167PHE-170TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.7015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='167PRO-170VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0185)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168HIE-180GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-24.4537)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168ILE-178VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4093)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168LEU-172ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.4178)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168LEU-211ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9046)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168TYR-203ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1578)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168TYR-224MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4317)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169ASP-172SER-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-18.6396)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169LEU-181TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3487)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169LYS-172ILE-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.7572)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169LYS-291ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4030)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169MET-184VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.0610)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170ALA-175TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1435)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170HIE-174LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1863)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170LEU-178LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9484)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170LEU-186TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2759)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170THR-180GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5311)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171ASP-176THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-17.3911)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171THR-180SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-5.1161)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171TYR-180PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=2.2525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171TYR-231VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0849)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='172ASP-204TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-25.6901)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='172ILE-235VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5417)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='172TYR-193VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8121)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173ARG-234ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-116.3362)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173ARG-296LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=58.6930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173CYS-269HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7165)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173CYS-270TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173LEU-190VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5192)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173PHE-176THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8883)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173TYR-211PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1078)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173TYR-213ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9726)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173TYR-245ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2320)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174ASN-178LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-24.6731)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174MET-177ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1132)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174THR-205LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3289)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-203VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-205PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5772)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-270TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.1809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-273GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6735)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-273GLU-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8226)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='175LEU-233ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3131)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='175VAL-268LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9121)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='175VAL-274ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-6.8221)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ALA-195LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6037)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ARG-182GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-114.4449)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ARG-273GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-76.3093)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ILE-198PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ILE-201ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4466)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ILE-205LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3246)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-204TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6761)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-208ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6192)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-208ALA-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4829)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-214PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4926)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176THR-180LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='177ASP-216GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=70.3742)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='177GLN-190VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='178SER-239ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-18.6765)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179ALA-225TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7669)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179ALA-238MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179ALA-250ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7344)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179LEU-239PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6807)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179TYR-216GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=4.3343)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179TYR-250PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.8410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179TYR-258TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.2689)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180ASN-219SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.7278)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180ASN-229TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.5520)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180GLU-187ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-101.2051)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180GLU-189ARG-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-105.1320)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180GLU-194ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-115.1474)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-184VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3029)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-209TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-11.1720)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-214PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5404)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-224ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7723)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181ILE-228TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1188)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181THR-195SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-5.0297)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181TRP-185GLN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.0362)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181TRP-189SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8531)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181TRP-258TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.7925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ASP-186ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-11.1970)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ILE-192ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6837)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ILE-239PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9762)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ILE-242LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182PRO-186LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3404)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182PRO-186LEU-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0117)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182PRO-189ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.9023)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-190LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3729)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-194ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8175)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-205LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.1810)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-209TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=2.1254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183TYR-186LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-14.7455)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184ASP-187ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-87.6911)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-205THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.7117)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-209LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3128)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-225TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.3151)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-228VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1741)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-238MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.7306)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-255TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6309)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184THR-220ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184VAL-225GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5207)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185PHE-190LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185TYR-220PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4371)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185VAL-224ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.0758)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185VAL-228TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3088)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186CYS-192PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7942)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186GLU-189LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-108.8177)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186LYS-191VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6043)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186LYS-191VAL-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3728)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186TYR-273GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=4.8911)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186VAL-208PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0971)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186VAL-223LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4872)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='187LYS-193THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4833)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='187LYS-193THR-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6191)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='188LYS-225GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-5.1610)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189THR-199LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.3013)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189THR-205PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2490)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189THR-207GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-16.3779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189TYR-232ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4516)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='190ARG-235LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.0285)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='190LYS-193GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-108.7076)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='190PHE-199LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2306)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='191LEU-219TRP-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.3030)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='191TRP-229TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2302)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='192GLN-197VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5756)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='192ILE-242LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4826)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='192SER-269ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-9.6292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='193HIE-248MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8169)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='193HIE-301MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.8062)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194ASP-269ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-119.2292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194ILE-205LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5445)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-198PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.8603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-201LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.7415)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-217PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6242)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-233ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.7307)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-237ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4763)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-241TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.6449)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195ASP-241TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=6.0352)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195LEU-205PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8380)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195LEU-237ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3135)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195LEU-269ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.4266)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195PRO-198PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.6515)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-218GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=10.5652)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-221MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7677)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-249ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6306)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-249ILE-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3999)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='197TYR-201LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6992)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='197TYR-252PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.8207)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='197TYR-284LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7182)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198ASN-201LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6838)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-205PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3784)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-217PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9574)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-284LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9750)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-287LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5024)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='199LYS-207GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-108.6665)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='200TRP-204ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.2347)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='201LEU-284LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5641)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='201SER-209ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.2159)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='202TYR-212ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6415)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='202TYR-241TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.1190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='203VAL-291ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205LEU-212ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7702)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205MET-223ASP-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-5.5906)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205MET-224MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5741)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205THR-209LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='206ASP-210TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-27.5663)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='206VAL-231TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2711)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='207PRO-216VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3676)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='208ALA-214PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1396)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='209TYR-214PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6546)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='210GLU-213LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-109.6338)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='210TYR-216ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='210TYR-286TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.0703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='211ASP-214LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-114.5832)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='211PRO-245ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6972)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='212ALA-221GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.3800)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='212ILE-243LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.7456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='212PRO-215ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9207)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='214ILE-217PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5052)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='215ALA-282PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6660)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='217PHE-234TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.0582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='217PHE-247ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9557)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='217PHE-249TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.5696)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='218ALA-249TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.4659)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='218ALA-258TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4730)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219SER-229TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.4357)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-222TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4145)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-222TYR-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6068)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-272ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8085)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-286TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1214)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-288LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.0361)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='220ALA-256THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6675)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='220ALA-286TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.0844)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-226LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-4.1793)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-230LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-111.4962)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-231TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=7.2789)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-262SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-18.2316)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-263SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-18.6603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-265GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=81.0156)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='222ALA-249ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5418)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223ASP-286TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=4.7367)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223ASP-288LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.5325)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223ASP-289SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-19.7175)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223LEU-227ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=1.2430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='224MET-229PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.3611)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='224MET-229PHE-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3539)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='225ASN-228ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.6251)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='225TRP-228VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9730)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='225TRP-252GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.3414)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-233LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.2154)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-247VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-294TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.3138)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-294TYR-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4327)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LYS-262SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-17.6271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='227HIE-255SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=0.4679)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='227HIE-256LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.1665)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='227HIE-289SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9302)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='228ARG-232GLU-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-91.9672)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='228VAL-254THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.2217)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='232PRO-290LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5639)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234ASN-237ASN-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4547)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-260LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.7960)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-262VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3853)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-286TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9448)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-286TRP-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.3571)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='235VAL-294ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236ILE-258LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.3599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236ILE-260ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8132)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236PHE-262VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.8344)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236PHE-279ILE-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.7565)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236PHE-282GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0056)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237ILE-267ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4209)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237ILE-269ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237TRP-246PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9219)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237TRP-249ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.5079)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237TRP-263ASP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.9238)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='238MET-247PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9160)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='238MET-255TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.1285)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='239ASP-244THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-3.6667)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='239ASP-271PRO-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-12.2613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='240ASP-270SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-17.9671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='240PRO-268LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6323)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='241ARG-272GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-92.1277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='243LEU-269HIE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.3569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='244SER-294TYR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4217)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='245ILE-250ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6630)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='245PRO-248GLU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.1605)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='248MET-298ARG-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8186)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-269MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.5789)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-276ILE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.2893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-297PHE-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.4609)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-300LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6653)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='250ILE-255TRP-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.8062)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='250ILE-255TRP-2', method='CCSDTNSAF12', mode='CP', basis='adz', value=-2.0987)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='251LEU-269MET-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.2297)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='252PRO-258ALA-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.4159)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='253ALA-261THR-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=1.0047)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='253ALA-302SER-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='255TRP-261VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.7245)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='258LEU-261VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='261VAL-266VAL-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.1646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='264ILE-271LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.6192)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='270SER-283LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='273PRO-283LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.9969)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='274ILE-279LYS-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-0.8056)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='275ASN-278LEU-1', method='CCSDTNSAF12', mode='CP', basis='adz', value=-1.0374)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-005ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-61.2748)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-013ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=64.4686)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-015GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-80.3635)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-159VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1794)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ASN-026VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3864)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ASN-030MET-1', method='CCSDBF12', mode='CP', basis='adz', value=1.5543)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ASN-097GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-16.3462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001HIE-099GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LEU-071LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4419)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LEU-154LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3051)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LEU-190THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2870)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LYS-027ASN-2', method='CCSDBF12', mode='CP', basis='adz', value=23.2685)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LYS-027THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3273)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LYS-027THR-2', method='CCSDBF12', mode='CP', basis='adz', value=2.0104)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-005GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=0.2888)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-027VAL-2', method='CCSDBF12', mode='CP', basis='adz', value=3.5848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-031VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=3.1067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-047GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.1729)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001PRO-046ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.6101)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001SER-030GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.8219)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ALA-101ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ARG-006GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-90.0681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ARG-020PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.6199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ARG-046LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.8321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ASN-022GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-20.8265)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ASN-026ASP-2', method='CCSDBF12', mode='CP', basis='adz', value=-7.8262)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ASP-145HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-6.0430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-005GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.2830)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-006GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5891)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-153PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9666)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-163LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2852)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-006GLU-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.5651)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-007ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4719)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-035GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-110.1613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-075ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-22.6150)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-080ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-082TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-7.9740)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002MET-031TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4115)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002MET-050ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6357)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002TRP-012VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2739)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002TRP-138SER-2', method='CCSDBF12', mode='CP', basis='adz', value=-5.1335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002TRP-139LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1297)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-009TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1787)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-042PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6154)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-042PHE-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.1976)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-043HIE-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.6513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-046SER-1', method='CCSDBF12', mode='CP', basis='adz', value=0.0397)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ALA-007THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4527)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003GLU-006GLN-2', method='CCSDBF12', mode='CP', basis='adz', value=5.3660)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ILE-062ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=0.2641)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ILE-065SER-1', method='CCSDBF12', mode='CP', basis='adz', value=0.7510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ILE-067TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003LEU-033LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2982)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003LEU-054LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003LYS-055LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1354)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003PRO-025ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8495)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003SER-096ASN-2', method='CCSDBF12', mode='CP', basis='adz', value=0.8103)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003THR-181VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7443)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003THR-182GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.9803)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TRP-163PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.0485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TRP-167GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9229)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TRP-167GLN-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.6590)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-028VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6764)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-028VAL-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.0781)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-030GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.3346)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-054VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6568)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-056ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9927)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-073CYS-2', method='CCSDBF12', mode='CP', basis='adz', value=-2.1239)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-074SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3385)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-096HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.4719)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-009TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8176)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-012GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.3198)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-036PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8121)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-064TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6017)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-081THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2816)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-083PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-118ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3985)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-121TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7981)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-024THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-14.9486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-057ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6118)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-057ILE-2', method='CCSDBF12', mode='CP', basis='adz', value=0.6494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-095TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-095TYR-2', method='CCSDBF12', mode='CP', basis='adz', value=-5.2753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ASN-009TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.6817)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ASP-043THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-16.0732)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ASP-194ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-101.9505)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004GLN-007ASN-2', method='CCSDBF12', mode='CP', basis='adz', value=-3.0559)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004GLN-056GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-6.4728)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004GLU-039THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-15.8333)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-010TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3950)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-031TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8326)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-032HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7539)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-040GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.3662)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-179LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2999)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-180LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=0.1662)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-180LEU-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.6098)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-183LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2766)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LYS-030ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.6207)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LYS-031ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6062)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LYS-323PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7699)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-116VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7117)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-135LEU-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.3184)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-158LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4102)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-160PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3066)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-007LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6641)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-009TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.8322)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-026TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.5741)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-029PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-068VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2141)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-074ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7109)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-094LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7926)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-096TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004SER-027VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3243)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004SER-030MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.2782)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-078LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-132LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-12.7325)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-163LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-164GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-15.1639)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TRP-014ARG-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.0747)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TRP-016LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.6338)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TYR-075PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8411)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TYR-105LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8782)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004VAL-053LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=0.5511)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ALA-019PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1051)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ARG-012GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-106.1396)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ARG-071GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-95.2938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ARG-158LEU-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.5720)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ASP-103GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-12.1125)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ASP-128ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-100.2347)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ILE-054SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8664)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ILE-234TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5163)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ILE-277LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=0.1034)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-010TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6556)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-011PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.6400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-015LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.6727)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-023GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5602)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-025ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2548)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-025LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3638)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-030ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.8602)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-030LEU-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.6178)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-032MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3903)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-037ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-068ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3923)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-077LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2381)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-083HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8559)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-106TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-191TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7184)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-022VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3161)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-031TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8755)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-037PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0132)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-043TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.5609)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-049LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6645)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-050TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.2573)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-155SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2267)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-162GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.2385)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-163LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9362)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PRO-196ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7726)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005SER-028VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3377)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005TYR-166TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.0887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005TYR-168VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-008GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=0.4268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-023LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1352)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-035PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=0.0479)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-037ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=0.0043)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-039SER-1', method='CCSDBF12', mode='CP', basis='adz', value=0.2503)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ALA-078GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ARG-090TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.0088)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ASP-010THR-1', method='CCSDBF12', mode='CP', basis='adz', value=6.5212)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ASP-116VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1546)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006GLU-010TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.9394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-108PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1992)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-126VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3772)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-319TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2269)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-323PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6073)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-018ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-5.8435)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-039THR-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.1985)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-050VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2737)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-053LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6038)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-061PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.6222)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-163LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2029)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006THR-097VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2982)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006TRP-026TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7980)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006TRP-038VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006TRP-040LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-020VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5041)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-023MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2366)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-024ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3593)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-026LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0336)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-038ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=0.1225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-053LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4352)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-055GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.6409)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-175PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.9626)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ALA-011ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ALA-021PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5665)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ALA-049VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0539)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ARG-011GLU-2', method='CCSDBF12', mode='CP', basis='adz', value=-101.8002)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ARG-062TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6788)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ARG-063PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.1117)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASN-109GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-18.7295)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASP-011GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=7.7975)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASP-119SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-5.2450)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASP-131ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-110.0555)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007GLU-033LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.0828)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007GLU-033LYS-2', method='CCSDBF12', mode='CP', basis='adz', value=-99.8685)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-015LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5492)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-030LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0933)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-030LEU-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.1963)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-038TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.2357)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-042LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=0.2117)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-097VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-017ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3636)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-026VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=0.5973)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-033LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-090TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9076)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-096TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7324)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-168HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1039)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LYS-011ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-112.6528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LYS-093SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5801)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LYS-099THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3488)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-019VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3674)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-021PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.0182)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-021PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-022VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9148)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-024VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=0.4832)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-035PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7773)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-084LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4997)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-091ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-111PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5690)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-157ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9499)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-160CYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4506)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007SER-010ARG-2', method='CCSDBF12', mode='CP', basis='adz', value=-7.9449)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007SER-100ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.0703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007THR-031LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=0.0791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007TYR-053TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3751)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-022SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4255)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-026GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1609)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-034ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2370)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-038VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4571)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-040THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-154GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2941)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-154GLN-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.6245)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-191TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7003)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-248MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1546)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ALA-034ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0014)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ALA-035GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.3397)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ALA-038MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ARG-115SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-14.5000)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASN-030LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-24.7579)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASP-018ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.3190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASP-018ARG-2', method='CCSDBF12', mode='CP', basis='adz', value=-110.4550)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASP-058ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0308)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-012HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-015TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6728)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-032MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3295)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-033PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7058)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-034LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=0.0260)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-035TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7760)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-041TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-058PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.6090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-062TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8739)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LEU-017ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2672)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LEU-088TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6890)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-043THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-14.1084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-065VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-068GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.6126)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-068GLU-2', method='CCSDBF12', mode='CP', basis='adz', value=-105.7091)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008MET-158LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=0.1761)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-042LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-044ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7088)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-097VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3414)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-099HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.5908)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-101HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.9448)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PRO-183ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-12.7697)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008SER-032SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.9033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008SER-093TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=0.0223)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TRP-035PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.4627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TRP-250PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.2202)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TRP-252GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-19.3952)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TYR-052TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1959)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-039TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5757)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-041VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1385)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-066LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=0.1966)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-072SER-1', method='CCSDBF12', mode='CP', basis='adz', value=0.1177)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-080PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4619)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ALA-084LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2294)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ALA-091ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=0.0572)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-023GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-95.2255)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-031TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-10.0427)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-092LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.9078)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-103GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=5.6274)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-106ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-88.8161)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-128ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.0812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-128ARG-2', method='CCSDBF12', mode='CP', basis='adz', value=60.4054)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ASN-024ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=10.1917)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ASP-021LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.2153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009GLN-068ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6945)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009GLN-072ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.0532)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-013TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4413)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-038LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-052PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3957)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-092LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-092LEU-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.3319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-105LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3677)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-108PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4823)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-155ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2279)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-013VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4241)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-033LEU-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.2641)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-039ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3167)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-041VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4645)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-041VAL-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.1490)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-055SER-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.5301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-058ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4282)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LYS-137LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.1805)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LYS-171VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5577)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009PRO-069TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5606)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TRP-111ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-9.6813)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-016GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=5.1906)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-029THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-033ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.6881)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-035SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-050PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.4612)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-053TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.7890)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-111ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-22.1853)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-121TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.6366)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-158ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=0.4329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-301MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7782)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-303TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.5316)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-021PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.2994)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-025ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1787)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-035ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3725)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-084ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1311)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-086TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ARG-039ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-100.1150)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ARG-042ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-89.9596)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ARG-092LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASN-014GLN-2', method='CCSDBF12', mode='CP', basis='adz', value=-5.4234)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASN-023GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-22.6687)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASN-088TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.3073)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASP-090TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-24.3447)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLN-022MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4234)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLN-102TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=0.9469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLU-014LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-66.9631)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLU-032SER-1', method='CCSDBF12', mode='CP', basis='adz', value=11.3819)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010HIE-015TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8715)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010HIE-023ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4863)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010LEU-091ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010LEU-096TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5672)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010LEU-132ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6338)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010PHE-028ILE-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.9847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-022LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.6655)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-025VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9135)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-032ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0167)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-032PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.9996)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-034VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6241)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-052TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7555)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-058PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.2841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-081VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.7836)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-081VAL-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.8212)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-017GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=4.3511)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-049PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.5460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-052TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.0861)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-163TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7325)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-027ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-028LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-034TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5443)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-040PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-044ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0606)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ALA-016GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5192)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ASP-091ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-17.6336)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011CYS-042VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3208)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011CYS-042VAL-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.4968)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011GLU-062TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=3.8186)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011GLU-100THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-8.1579)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011HIE-015ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=2.7232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011HIE-304SER-1', method='CCSDBF12', mode='CP', basis='adz', value=2.2701)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011HIE-306ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.7649)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-017LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-018ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3665)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-024ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3572)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-024ILE-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.1256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-028LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=0.0299)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-037LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=0.2055)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-038TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6032)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-042LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3194)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-045VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-062HIE-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.4093)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-069TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6185)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-071GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6944)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-102TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.2578)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-102TYR-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.9384)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011PHE-044TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6041)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011PRO-020ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=0.0810)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011SER-223GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-18.0368)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011THR-017ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1707)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011THR-166GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.9244)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011THR-166GLU-2', method='CCSDBF12', mode='CP', basis='adz', value=-16.1507)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-018ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-6.8703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-023ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-6.6971)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-051GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-10.0042)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-102GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.2287)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-169ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8088)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-144PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6975)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-153LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1632)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-153LYS-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.4033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-155ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=0.1434)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-055PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2706)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-059PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6568)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-108PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5787)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-139ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4141)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASN-048PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7950)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASP-024LYS-2', method='CCSDBF12', mode='CP', basis='adz', value=-77.1301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASP-026TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-6.6407)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASP-069TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=4.5834)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLN-034GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-6.5167)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLN-044TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8721)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLN-048TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-017GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6038)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-019THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-16.5575)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-068HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=13.1021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-070TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.6900)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012HIE-015ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0427)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012HIE-033LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3228)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-016THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3426)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-018LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2239)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-028LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=0.0467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-044ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5522)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-046LYS-2', method='CCSDBF12', mode='CP', basis='adz', value=0.3645)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-046VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1716)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-024VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-027PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8325)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-033LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=0.1282)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-035TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-039ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-047ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1849)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-057LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1844)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-062HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.2627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-064LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5051)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-065LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1990)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-070MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5233)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-074VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=0.1679)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-083ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7941)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-085ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4516)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-088TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1269)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-026PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.0688)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-040PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1024)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-116PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7814)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-163ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3150)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-166CYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012SER-138SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.4817)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012SER-166PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1529)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012TYR-087PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.9503)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-016LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0082)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-023LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-088PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7182)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-114PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-146PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ALA-096TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.7843)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ASN-149ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-7.1003)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ASP-016GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=63.5162)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ASP-023ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-116.9177)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-039ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-90.9173)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-052ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3563)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-056GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-21.8344)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-065LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.0163)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-069ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-114.8768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013HIE-032ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1512)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013HIE-095HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.8980)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013HIE-121TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-9.6705)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ILE-017LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5320)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ILE-105ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-017ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=0.1505)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-063ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3724)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-065PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-066ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-069LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4956)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-077LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=0.0084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-082VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3492)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-084ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2730)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-036VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4716)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-060TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.6813)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-062LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1544)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-063PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0580)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-083ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6658)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-085ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PRO-032VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=0.3548)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PRO-034GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0440)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PRO-129THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013SER-047TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8665)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013THR-164GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.6703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013TYR-075LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3083)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013TYR-075LEU-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.0836)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-016PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1589)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-066LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5125)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-154ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7663)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-154ASN-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.8169)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ALA-055LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ARG-083THR-1', method='CCSDBF12', mode='CP', basis='adz', value=3.3651)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASN-027ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6903)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASN-061LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-24.4694)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASN-137TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.3714)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASP-017ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-80.5286)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLN-093VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0442)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLU-036LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-120.8661)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLU-069ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.3109)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLU-164TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-25.7234)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014HIE-043TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8436)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-025TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4203)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-027ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-081PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6208)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-085ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0134)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-088MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4937)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-061GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1149)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-070TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1389)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-163ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3490)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-174PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LYS-023GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-124.5054)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014SER-017GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-15.1231)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014SER-084GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.7008)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-019GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.6461)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-021PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1106)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-022LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-022LYS-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.1714)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-082PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.9856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014VAL-091ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2369)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ARG-020ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-99.2774)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ARG-164ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1595)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-019THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.4901)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-048GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-6.8288)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-069ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.4768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-149PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.2051)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015CYS-057LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8138)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015GLU-019LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-105.6724)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-019PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2170)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-023LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1621)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-030LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5266)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-034LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2123)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-035ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2556)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-136HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=0.3839)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-035TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6009)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-038LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2889)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-080PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1784)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-084TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6508)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-102SER-1', method='CCSDBF12', mode='CP', basis='adz', value=0.7535)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-047TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=0.1534)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-047TYR-2', method='CCSDBF12', mode='CP', basis='adz', value=-12.7165)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-220ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-107.2571)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-223GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.8860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015MET-023LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6078)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015MET-023LEU-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.5985)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015PHE-039ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015PHE-044LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0051)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015SER-018THR-1', method='CCSDBF12', mode='CP', basis='adz', value=0.0720)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015SER-037LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2606)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-019ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-021MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5406)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-060HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-8.1163)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-061GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-5.0679)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015TRP-025THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7905)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015TRP-096TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.8666)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015TYR-034ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1549)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015VAL-060TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3549)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ARG-047PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.8691)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLN-048ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2312)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLN-098LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0228)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLN-101GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.9719)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLU-035TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.3500)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ILE-021VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ILE-145LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1974)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ILE-219PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4696)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-036LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=0.0222)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-046ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0347)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-062LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=0.1690)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-065LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1154)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-072PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=0.4084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-082SER-2', method='CCSDBF12', mode='CP', basis='adz', value=0.7500)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-137ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3658)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-141MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LYS-085GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-105.6396)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-034VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1644)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-036VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1114)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-132ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5711)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-176PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.7246)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-192LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.2789)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016SER-031ASN-2', method='CCSDBF12', mode='CP', basis='adz', value=-4.6922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016THR-022MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016TYR-079ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9630)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-033THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-055PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5051)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-059PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0144)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-084ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1667)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ARG-056HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-8.0253)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASN-021LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-18.7930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASN-029ASN-2', method='CCSDBF12', mode='CP', basis='adz', value=-6.1350)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASP-049ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-76.9173)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASP-060HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-6.9332)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLN-024ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-7.7962)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLN-093VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=0.7589)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLN-094ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-24.7151)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLU-036TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.9846)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLU-072PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.3093)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017HIE-033ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-19.5248)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017HIE-035TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.7065)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-021LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-028LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-028LEU-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.1053)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-030PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4992)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-055HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.7400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-149PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.6855)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-050ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1367)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-056PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-066LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=0.6516)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-083ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017MET-020LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8702)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-022SER-2', method='CCSDBF12', mode='CP', basis='adz', value=-2.3300)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-025TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3068)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-077ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-6.9241)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-081PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.6487)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-084LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9881)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017THR-078GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-14.0338)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017THR-307TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9760)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017VAL-049LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4176)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ALA-023VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0668)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ALA-026GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.6108)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ALA-027VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0828)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ARG-057THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ASN-227ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6688)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ASP-032THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-18.9312)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ASP-034ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.6597)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018CYS-132HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.2739)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018GLU-074ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.6848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-022GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-052VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-055ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0264)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-055PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6792)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018LEU-039ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=2.1467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018LYS-024TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.6936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-060HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8984)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-085GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1296)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-086VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-139LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018SER-024LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=0.0103)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018SER-040GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-17.2185)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018THR-035ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=0.0017)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018VAL-034ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3709)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018VAL-164TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9457)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018VAL-166ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5647)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ALA-055HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1239)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ALA-058TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9449)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ARG-027ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=61.1660)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ASN-053VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6144)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019GLN-026GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4085)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019GLU-022LYS-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.6239)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019GLU-025THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-16.5107)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ILE-051VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4089)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-037ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4037)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-041VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-061ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3030)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-062LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5480)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-062LEU-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.6904)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LYS-027VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3303)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LYS-031HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0487)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LYS-071GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-116.5135)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019PHE-049LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019SER-023ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=0.3929)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019SER-023ARG-2', method='CCSDBF12', mode='CP', basis='adz', value=-5.5381)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019SER-026ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-13.6452)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019THR-022MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8516)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019THR-035GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6413)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019THR-035GLU-2', method='CCSDBF12', mode='CP', basis='adz', value=-2.4738)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019TYR-050TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.1838)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-027ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3669)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-058VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=0.1614)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-075LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-081LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2489)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-137ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=0.0983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-138VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=0.2333)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-138VAL-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.1948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ASN-039LYS-2', method='CCSDBF12', mode='CP', basis='adz', value=-25.3064)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ASN-040LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-23.9087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ASP-082LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-79.4104)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020GLN-036TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.1865)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020GLN-059ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0223)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020HIE-062ASP-2', method='CCSDBF12', mode='CP', basis='adz', value=11.0451)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020HIE-068LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.7002)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-023VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0770)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-032THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3801)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-082ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2130)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-309ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1143)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LEU-024VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4845)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LEU-038ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0688)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LEU-042VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=1.5070)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LYS-040GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-121.4593)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PHE-135PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.6205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PHE-149LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7443)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-023ARG-2', method='CCSDBF12', mode='CP', basis='adz', value=1.8617)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-177PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6623)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-178LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5408)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-181ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=0.4405)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020SER-058VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=0.3879)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020SER-091ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2508)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020VAL-029TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5737)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ALA-039TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4901)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ALA-057VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9122)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ALA-100ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5433)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ARG-033THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1708)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ARG-035GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.8743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ARG-035GLU-2', method='CCSDBF12', mode='CP', basis='adz', value=-90.7471)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021GLN-024LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-22.4785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021GLN-024LYS-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.9033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021GLN-057TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3968)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021HIE-061PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3700)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-031HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0843)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-036VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4464)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-038VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8645)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-041PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0054)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-077LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=0.2397)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-088ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4913)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021LYS-032TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-10.8419)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021LYS-039ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4904)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021MET-058TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.8631)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021MET-062GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4746)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021MET-069ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8013)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-025GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.6548)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-038VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2427)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-054ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5074)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-060PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4086)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-072PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.1106)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-072THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3327)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-076VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-079ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4705)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-082PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.8831)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-097LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=0.3055)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-097LEU-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.1898)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-113ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=0.5016)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-131VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5864)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-251HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-260ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7063)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021SER-142ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.5089)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021THR-148GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=0.1786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021THR-150LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2867)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021TYR-088PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.6270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ARG-072GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-105.3909)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ARG-073GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-87.3808)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-028GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=2.9111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-046MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.3433)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-055ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=9.6594)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-058GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.3112)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-147TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.4386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ILE-072HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6833)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ILE-074ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=2.1569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-057THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5702)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-058PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-062ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-065LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2993)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-081LYS-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.5039)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LYS-086ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3445)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022MET-041VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4967)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-027ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-031ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9813)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-039TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.2899)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-040ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9238)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-041PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.2749)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-064VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6242)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-069VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-069VAL-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.0776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-099ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6228)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-166ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-168TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.9214)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022SER-121LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4575)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-026THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1687)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-039TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-040TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.8247)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-043ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3716)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-055LEU-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.4626)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-059VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6737)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022VAL-067LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2559)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022VAL-079TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3175)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022VAL-079TYR-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.6261)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ASP-027ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-105.3614)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ASP-042ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-119.8738)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ASP-057ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-114.6706)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLN-177PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3074)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLN-217THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-5.6181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLU-028LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.7200)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLU-046LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-109.4174)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ILE-060PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2385)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-035PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5759)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-035PHE-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.5328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-036ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6843)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-055ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-097LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4235)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-029GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-79.8064)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-029GLU-2', method='CCSDBF12', mode='CP', basis='adz', value=-3.7787)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-064TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-6.9735)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-064TYR-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.8618)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023MET-038ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5611)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023SER-051ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=2.5312)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023THR-085ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0493)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023TYR-026LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2364)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023TYR-031TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.3238)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023VAL-041ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=0.0662)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023VAL-055LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4434)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ALA-034ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0665)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ARG-073ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-16.1116)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ARG-076GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-108.2743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-027ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-24.4951)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-027LEU-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.8093)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-029ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3596)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-034TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.2860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-056PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.2668)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-058TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.1438)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASP-065HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-25.9823)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024CYS-100ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.0798)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-040HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-24.5625)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-041LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6198)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-050ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.8899)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-054ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-104.3684)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ILE-055TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-028GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2713)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-028GLU-2', method='CCSDBF12', mode='CP', basis='adz', value=-2.1503)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-029GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.7009)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-031LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7406)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-032VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3226)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-054VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-260ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8427)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-261ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8377)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LYS-057TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7175)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LYS-069TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.2256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LYS-069TYR-2', method='CCSDBF12', mode='CP', basis='adz', value=-8.5670)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-089LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=0.4895)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-089THR-1', method='CCSDBF12', mode='CP', basis='adz', value=0.0789)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-099TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.4865)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-100SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2807)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-130LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9543)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024SER-038THR-1', method='CCSDBF12', mode='CP', basis='adz', value=4.2638)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024THR-041GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.4361)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-032HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-049ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3652)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-054PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-079PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4702)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-142VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0325)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-143GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9207)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ALA-035TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4973)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ALA-037ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3284)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ASN-181ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-7.1773)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ASN-183THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-5.4861)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-029LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7463)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-036THR-1', method='CCSDBF12', mode='CP', basis='adz', value=1.3956)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-039TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.1534)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-260ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3917)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-274ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7548)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-028VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-036VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-056LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1064)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-059ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.6327)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-084ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=0.5772)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-084ILE-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.1656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-090ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2772)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-091VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2241)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-055VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1516)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-060PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-075ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-075ILE-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.3154)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025SER-035ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=0.0714)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025SER-075ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=4.6356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025SER-100ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025THR-045THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.1713)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025THR-100TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025THR-103LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-16.7623)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-038MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-135ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8062)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-144LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4909)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-146PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.8834)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-152GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-21.1208)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TYR-080ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.7503)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TYR-081PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3932)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TYR-084LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9634)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-029TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5727)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-057VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4509)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-069ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4253)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-083GLU-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.1724)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-185ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3966)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASN-054ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-6.8265)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASN-055ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7364)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASN-058GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-15.4741)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASP-042PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4951)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASP-077PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.8149)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLN-065HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4845)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLN-065HIE-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.4249)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLU-042HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=14.5079)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLU-057TYR-2', method='CCSDBF12', mode='CP', basis='adz', value=-23.4356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLU-059ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-98.0593)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ILE-037TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7792)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ILE-078ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1653)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-037PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3167)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-039ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-040GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.6816)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-041VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-135ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3476)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-029PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.8834)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-099ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3397)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-103HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.3524)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-168TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9481)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-030TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4822)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-036PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.2627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-118ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-217THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.1666)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026THR-031LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2091)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026TYR-062ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6047)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026TYR-069TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.8204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026VAL-041GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.7640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026VAL-041GLU-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.7555)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ALA-074LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5612)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ALA-102ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0223)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ARG-049GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-96.0572)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ARG-055THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.8528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ARG-094ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-96.8968)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ILE-039THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3039)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ILE-046PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2950)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ILE-075LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027LYS-089LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4196)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-030ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1096)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-057VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-069SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.5796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-071VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-078GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.8881)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PRO-032MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6252)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027SER-034ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4167)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027THR-036SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-5.2193)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-070TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.6983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-085ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3054)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-086TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-088ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=0.3811)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-090THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2552)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ALA-038VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=0.1107)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ALA-041VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0125)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ARG-031GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-17.1683)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028GLU-072HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-23.9403)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028GLU-097LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-113.7445)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-036LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-091VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0913)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-106VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=1.1398)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-151VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5274)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-037VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4139)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-055LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.9391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-058ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-059ARG-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.3861)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-061GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-133PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LYS-067TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.8283)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LYS-317ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-20.5088)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028MET-031ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.4435)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028MET-037ARG-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.3281)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028MET-040HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.7658)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028PRO-058LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3765)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028PRO-111LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6755)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028SER-055THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.2663)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028SER-056GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.2978)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-031THR-1', method='CCSDBF12', mode='CP', basis='adz', value=3.0654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-036MET-1', method='CCSDBF12', mode='CP', basis='adz', value=2.2988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-038VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2096)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-058PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.6849)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-085GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=0.1289)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-086ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=0.2416)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-105PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4252)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-128PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=0.2371)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-170LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=0.3658)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ALA-274ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4411)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ASN-034LYS-2', method='CCSDBF12', mode='CP', basis='adz', value=-26.9053)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ASN-179SER-1', method='CCSDBF12', mode='CP', basis='adz', value=0.3870)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ASP-070ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=83.1658)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029GLN-033ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=5.7225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029GLU-045LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.0337)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029GLU-055SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-18.1975)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-034VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3447)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-036PHE-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.4066)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-040GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-045GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6587)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-095TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9801)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LYS-035GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.9127)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-094LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4911)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-101TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8123)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-103HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=0.1179)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-168TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.5654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-177ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PRO-085GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-9.7047)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029THR-121TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0437)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029THR-121TYR-2', method='CCSDBF12', mode='CP', basis='adz', value=-3.9994)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-302SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6336)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-305ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.9528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-308ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-8.2902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-315PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4294)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TYR-049GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.6706)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029VAL-036VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3096)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029VAL-054LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0047)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029VAL-087LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=0.2056)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ALA-274ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ASP-320ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-100.6260)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLN-034TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.2038)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLN-034TRP-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.9726)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLN-036MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1748)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-033GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-15.3092)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-034ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=68.0877)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-038PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6798)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-042PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5332)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-049PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.9523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-061LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-114.5781)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ILE-034LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ILE-055ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=1.6663)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ILE-093TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LEU-034LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3042)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-078TYR-2', method='CCSDBF12', mode='CP', basis='adz', value=-6.6940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-083GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-118.6184)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-085GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.1449)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-169THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-15.8030)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-042LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4592)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-044ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4699)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-061GLU-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.8662)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-151ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.8966)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PRO-057MET-1', method='CCSDBF12', mode='CP', basis='adz', value=0.0708)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030SER-109GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-17.0880)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030THR-121LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=1.3457)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-033THR-1', method='CCSDBF12', mode='CP', basis='adz', value=0.0230)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-036PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.0695)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-042GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-20.1328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-046LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.8879)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-073PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6187)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-079LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2155)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-103PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.6368)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-171THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-176SER-2', method='CCSDBF12', mode='CP', basis='adz', value=-5.3435)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-212GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-16.8689)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-213GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.1213)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-216SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8587)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-217THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7854)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030VAL-033VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=0.2265)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030VAL-044LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2219)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030VAL-050ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6101)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ALA-088VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0481)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ASP-034HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=21.6758)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-035LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4781)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-037SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-5.3811)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-109LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2389)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-125LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4478)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-128GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-14.8613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ILE-034ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ILE-097TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6977)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ILE-246ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=0.1317)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-091LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0493)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-125LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2978)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-168LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4588)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-213GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.7337)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-060THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3742)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-061ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7283)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-062HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7107)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-076ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3200)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-092TRP-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.2574)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-095TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.7244)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PRO-097VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1097)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031THR-085GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-16.7434)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031THR-128PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-060ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-22.5979)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-164VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4094)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-168GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.6632)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-168GLN-2', method='CCSDBF12', mode='CP', basis='adz', value=-2.6918)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-171ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8031)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TYR-037PHE-2', method='CCSDBF12', mode='CP', basis='adz', value=-2.0053)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TYR-048HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.2959)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TYR-051GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.0990)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-056PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6217)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-068LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-071VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3808)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-073VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3942)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-077ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7717)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032ASP-040HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.1830)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLN-116ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-20.8996)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLU-035ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-114.1326)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLU-169THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.9225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLU-169THR-2', method='CCSDBF12', mode='CP', basis='adz', value=-16.4789)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032ILE-036GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3942)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032ILE-065LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=1.1182)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-080GLU-2', method='CCSDBF12', mode='CP', basis='adz', value=-107.1023)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-083LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5407)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-091LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.2790)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-091LEU-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.2061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032PHE-058ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.8335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032PHE-081VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032PHE-095LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.2649)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032SER-057GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-15.5085)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032THR-093LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032THR-094LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5441)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032THR-128LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0770)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-062ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0452)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-073PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.8423)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-074VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6295)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-083ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-6.9882)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-042ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=0.8290)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-052VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8436)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-056HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5615)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-068LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2870)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-080ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=0.6124)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-100VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0104)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ARG-189PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.8037)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ARG-191LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3360)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ARG-191LEU-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.7648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ASP-276SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-16.7944)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ASP-279LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-121.5893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ASP-279LYS-2', method='CCSDBF12', mode='CP', basis='adz', value=-3.4157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033CYS-047TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.4928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033GLN-092ASN-2', method='CCSDBF12', mode='CP', basis='adz', value=-7.5162)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033GLU-036ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-115.9219)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033HIE-060MET-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.6461)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033HIE-062THR-1', method='CCSDBF12', mode='CP', basis='adz', value=5.4225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ILE-037ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.6571)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ILE-061VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4981)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-053VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3420)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-059ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6562)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-061PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-089ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5118)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033PHE-058PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6749)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033THR-100GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=0.5182)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-062HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3151)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-091ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-7.5994)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-094ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-094ILE-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.0446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033VAL-048ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033VAL-055VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0580)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033VAL-091ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2316)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ALA-133LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6264)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ALA-152GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.7487)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ARG-060TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-15.1087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ARG-064LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASN-076SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1725)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASN-078TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=0.2923)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASP-037PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3746)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASP-061ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-81.8537)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034HIE-057HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ILE-037TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8789)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LEU-038TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LEU-044TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-068GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-108.0429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-070TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6576)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-070TRP-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.6272)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-086TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9370)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-086TYR-2', method='CCSDBF12', mode='CP', basis='adz', value=-6.4151)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-045TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.4243)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-058CYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3600)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-062HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5819)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-069MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4415)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-072LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6194)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-100VAL-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.6334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PRO-065ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4104)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PRO-075PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034SER-105LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1058)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TRP-037TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.0160)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-136ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7572)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-143MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.2066)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-148VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-277TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=1.1909)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-046LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2660)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-048PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2787)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-072VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2376)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-077LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0674)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-111LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6056)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ALA-065LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5723)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ALA-067ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=0.9491)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ARG-041THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-12.6652)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ARG-042VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5484)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ASN-172GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-9.8942)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ASN-174TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ASP-046ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-98.0478)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035CYS-038CYS-1', method='CCSDBF12', mode='CP', basis='adz', value=3.9802)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035CYS-154THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.0204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035GLU-189PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=0.0532)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035HIE-059ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6128)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035HIE-059ARG-2', method='CCSDBF12', mode='CP', basis='adz', value=-4.9239)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035HIE-061ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.6404)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LEU-061PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6196)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LEU-085LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LYS-083TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.8562)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LYS-090GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-5.3442)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-047TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.7736)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-062THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.2205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-097LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9974)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-111PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4711)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-128PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.5572)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035THR-112LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.5187)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-045HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=0.1875)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-058PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.7950)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-064ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4911)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-157VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-161LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-15.2611)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ARG-042GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-108.9983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ARG-162GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-18.3733)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036CYS-039CYS-1', method='CCSDBF12', mode='CP', basis='adz', value=1.1438)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLN-040HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.7571)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLN-105LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2965)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-039ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-117.7688)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-039LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-113.3214)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-045LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8504)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-053VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3312)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-056ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-81.3284)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036HIE-063LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.2222)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ILE-040THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.2659)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ILE-061ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4512)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ILE-063TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-039MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6838)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-041ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1376)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-046PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=0.2306)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-046PHE-2', method='CCSDBF12', mode='CP', basis='adz', value=0.0513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-047TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3982)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-098ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4230)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036MET-049LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=0.2948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036MET-054VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=3.7398)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036PHE-075SER-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.7805)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036PHE-113ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.8133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036PHE-303TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3013)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036SER-069THR-1', method='CCSDBF12', mode='CP', basis='adz', value=0.1066)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036THR-090GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-18.7201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036THR-104MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6765)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036THR-133PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0318)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036TRP-047PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6093)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036TRP-049PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0175)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036VAL-060TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=0.0175)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036VAL-070TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.7203)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036VAL-086TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ALA-056ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ARG-152GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-118.1625)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASN-040THR-1', method='CCSDBF12', mode='CP', basis='adz', value=3.5345)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASN-067GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-5.7057)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASP-040ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-78.9441)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASP-064TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-17.9037)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037HIE-050GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-23.5859)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-116PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4324)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-125LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4972)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-162PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4339)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-165VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037LYS-162PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5222)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037PHE-048HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3159)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037SER-043ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-5.9066)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037THR-053ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=0.9966)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037THR-085LYS-2', method='CCSDBF12', mode='CP', basis='adz', value=1.2120)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-050ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.9129)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-053LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7997)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-055LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-13.8882)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-055LYS-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.5623)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-046THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5357)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-050LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.7476)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-066LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-068VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7000)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ASN-199LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ASN-202PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.3822)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038CYS-095PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8490)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038GLN-042ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-21.3143)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ILE-085ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3675)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ILE-094LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=0.4408)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-045PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-047TYR-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.1818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-054LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3556)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-109SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3913)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-109VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=0.0447)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LYS-047PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4731)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038MET-041LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038MET-146PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.8249)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-042PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.2299)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-042VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-046ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.6254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-049PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9028)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-061VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1257)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-061VAL-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.9094)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-101PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6220)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PRO-108ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3781)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038THR-053PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3632)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-063TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.9418)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-065PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.5681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-068TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4697)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-073ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1210)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-078ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5708)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-081TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4290)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-082ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7979)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-132ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TYR-060TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.7791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-041VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=0.0047)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-072PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0999)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-082PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4728)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-083ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=0.0857)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ALA-095PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.5432)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ARG-043ASN-2', method='CCSDBF12', mode='CP', basis='adz', value=5.4024)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASN-042ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-21.5921)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASN-081SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.2462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASN-083TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5947)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASP-057THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-16.5511)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039GLN-047ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-15.9176)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039HIE-057HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=9.5519)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-054LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7060)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-055TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6260)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-108ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-109CYS-1', method='CCSDBF12', mode='CP', basis='adz', value=2.7504)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039LYS-043HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7103)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039PRO-165PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.5508)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039PRO-166ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039PRO-199LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=0.1095)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039SER-054GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-16.9519)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039SER-067GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-18.2250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-046THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.7334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-077LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-079LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5433)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-083VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-052SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.0750)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-064VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-066LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3490)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-066LEU-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.6282)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TYR-043ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=1.6061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039VAL-083TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3260)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASN-073PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4504)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASN-077TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4579)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASN-090ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-9.5932)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASP-065THR-1', method='CCSDBF12', mode='CP', basis='adz', value=2.4425)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040GLU-045GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-18.1535)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040HIE-103HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-9.2701)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040HIE-105LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3837)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ILE-054VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ILE-057LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3318)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040LEU-063TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7269)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040MET-085ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=1.2420)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040PHE-052TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.7741)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040PHE-116PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.7529)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040PHE-133PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.7731)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-044TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-048VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5470)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-162GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-186TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0130)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-270TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-052GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.8162)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-055LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-121ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.7136)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-121ILE-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.0829)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-122THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.1302)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-045TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.5993)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-055VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-076VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9148)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-079ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0833)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-082PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5706)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040VAL-063VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1426)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ALA-047TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.7171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ALA-081GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7629)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ALA-121ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1695)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ARG-051PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.9544)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ASP-084ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-92.1917)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041GLU-045LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-107.1997)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-058ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=0.6811)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-061PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2729)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-107PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8992)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-107PHE-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.0124)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-146PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2607)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-155PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-162PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3379)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-170TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0672)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LYS-045GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0214)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LYS-107PHE-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.5648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LYS-110SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-18.7056)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-047SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-054HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.2707)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-073ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2395)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-077LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5673)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-094LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-5.7724)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-094LYS-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.3098)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-104VAL-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.0483)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041VAL-059LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4712)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041VAL-064LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=0.0767)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ALA-082ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=0.0227)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ASP-045THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-18.9117)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-095PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.5124)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-101PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.8257)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-103PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-6.2246)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-121ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.3297)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ILE-049PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5388)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ILE-052PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3597)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ILE-056PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.2554)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-047ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2990)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-048ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6251)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-048VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5180)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-103HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2416)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-105LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3016)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LYS-049GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-122.9454)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-049PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-054PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.2642)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-056SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6565)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-061LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3917)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-064LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8966)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-074LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.5304)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-077PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-085PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.2977)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-087LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8874)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-088ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.9603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-089ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7805)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-089MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.2662)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-092TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.0673)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-101VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6695)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042SER-058ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7920)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042SER-062ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=4.3901)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042THR-052ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.1031)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042TRP-049ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-11.0587)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ALA-073PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2058)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ALA-077TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5343)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ASP-054HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-24.6353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ASP-058ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-118.5250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ASP-062TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.6446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043GLU-104ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.9264)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ILE-055LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=0.3462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-050PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4947)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-055THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2866)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-071PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-114SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-161TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3685)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043MET-048ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=0.0317)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043MET-060VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4899)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043PHE-065PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1311)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043PHE-068TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4432)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043PHE-073PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6554)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043THR-059LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-048GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.2307)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-049THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7591)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-068LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.6790)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-185HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.2086)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-186TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.7017)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043VAL-066LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0705)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043VAL-069VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3635)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ALA-052ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7219)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ASN-048THR-2', method='CCSDBF12', mode='CP', basis='adz', value=-5.0851)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ASN-059THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.6561)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044GLN-061LYS-2', method='CCSDBF12', mode='CP', basis='adz', value=-28.1042)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044GLU-084ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-94.6442)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044HIE-067HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.1383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044HIE-073TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.8429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044HIE-086GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-24.5827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ILE-101HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-079VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-101ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3632)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-272GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3221)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-272GLN-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.5983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044MET-061VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4956)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044PHE-048LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7710)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044PHE-130VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.2657)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044PRO-053ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.3508)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044SER-093ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-13.7784)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044SER-118ARG-2', method='CCSDBF12', mode='CP', basis='adz', value=-10.2108)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044THR-118TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7833)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TRP-048TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.0259)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TRP-085PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.5948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TRP-147TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9711)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-048LYS-2', method='CCSDBF12', mode='CP', basis='adz', value=-15.4332)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-059ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8500)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-077LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9787)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-109LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9844)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044VAL-174MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0750)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045ALA-054HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3141)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045ALA-071HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.6660)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045ASP-081GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=90.7192)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045GLN-062LYS-2', method='CCSDBF12', mode='CP', basis='adz', value=-23.8698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045HIE-051GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-22.9302)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045HIE-053ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.6113)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-049GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=0.2458)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-049TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=0.5032)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-054PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6587)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-055ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.5012)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-070PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-097LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6327)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LYS-048GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.1614)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LYS-084GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-71.8331)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-057GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-6.9902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-061VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-066PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3688)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-075LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-9.5560)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PRO-080VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0037)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PRO-100VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2564)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-048ALA-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.3914)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-066VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2423)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-097SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1890)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-168LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7923)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-048ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6129)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-049ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7836)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-100VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5135)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-272GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.9592)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TYR-053THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.2566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-050ASP-2', method='CCSDBF12', mode='CP', basis='adz', value=-94.8997)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-092TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=2.0024)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-182GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-76.4315)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-273GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-113.6508)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ASP-083ASP-2', method='CCSDBF12', mode='CP', basis='adz', value=55.7897)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ILE-071GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3109)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ILE-074LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=11.2075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046LEU-068ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2594)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046LEU-103PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7128)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-050LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.6232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-084LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-088MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.2685)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-107PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.0975)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-119GLN-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.5247)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-121LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-161TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.6593)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PRO-140ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1043)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PRO-141ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4596)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046SER-054PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4442)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046SER-088ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-5.7250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046THR-069ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.6959)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046VAL-094PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5660)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ARG-050GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-81.6104)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ARG-059MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6209)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ASN-062LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1506)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ASN-276PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7817)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ILE-064LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1775)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047LEU-055LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0083)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047LYS-059ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-113.9382)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047PRO-164TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3894)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047SER-065PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TRP-081GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-8.7090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TRP-083TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3244)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-052PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5898)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-053ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=2.2951)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-055ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4669)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-058TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.1876)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-075ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-077HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3078)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-111PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0285)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-136TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=3.1724)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ARG-060MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9522)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ASN-052ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.2109)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ASP-081THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-18.7651)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ASP-131LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-115.0915)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048GLN-070SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2226)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-052PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-091ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-5.3323)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-099HIE-2', method='CCSDBF12', mode='CP', basis='adz', value=-2.3619)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-174MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.6706)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-178ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-25.7616)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ILE-052ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5622)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ILE-272GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5820)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ILE-279ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7145)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-070PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7290)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-070PHE-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.8156)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-074TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3575)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-074TYR-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.1347)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-077GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3524)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-141PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LYS-082ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5142)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LYS-098GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-110.0501)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048PHE-058PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3680)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048PHE-101LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3706)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048PHE-105TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3702)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048VAL-093THR-1', method='CCSDBF12', mode='CP', basis='adz', value=0.0851)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048VAL-095LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3730)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048VAL-099ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3729)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ALA-092TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8196)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ARG-167GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-20.6554)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049GLU-080ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-92.2142)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ILE-059ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.0544)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ILE-070PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6780)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ILE-100VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3631)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LEU-054VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2370)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LEU-107PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1537)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LYS-121LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6317)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LYS-158ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-6.0442)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-056PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1790)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-057GLN-2', method='CCSDBF12', mode='CP', basis='adz', value=-2.4578)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-091ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-093VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.8617)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PRO-052TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5230)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049THR-053LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4618)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049TYR-054PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8723)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049TYR-098GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=4.2154)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049TYR-102ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.1747)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-053THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2529)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-124GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4675)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-127LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-131VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4331)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ALA-081PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7381)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ARG-054THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-11.8782)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASN-083TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0123)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASP-053THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-17.8494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASP-067PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.7855)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASP-092TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-23.4585)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050GLN-055TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.9938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050HIE-065PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.4139)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050HIE-087TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-9.4010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ILE-053ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2873)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ILE-071PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4739)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ILE-079VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=0.1734)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050LYS-056GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-111.4735)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PHE-071PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8420)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PRO-053TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9026)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PRO-058PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9249)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PRO-096TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=1.2076)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050SER-066PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8274)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050THR-143THR-1', method='CCSDBF12', mode='CP', basis='adz', value=0.0366)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050TRP-054GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-6.1189)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050VAL-054THR-1', method='CCSDBF12', mode='CP', basis='adz', value=2.0470)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051CYS-154LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-7.4513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051CYS-156THR-1', method='CCSDBF12', mode='CP', basis='adz', value=2.4268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLN-089GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.9313)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLN-089GLU-2', method='CCSDBF12', mode='CP', basis='adz', value=-24.3710)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLN-098TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.9952)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLU-056MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0598)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLU-056MET-2', method='CCSDBF12', mode='CP', basis='adz', value=-2.7575)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051HIE-277ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-23.3695)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051ILE-068LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7822)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-055ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.5931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-080ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.6321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-096TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.2028)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-131LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6917)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-058VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-091ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-5.0263)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-091ARG-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.0635)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-175PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051THR-152PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8324)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-093VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0965)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-095LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-097ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-6.0269)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-097ARG-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.7678)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-107PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051VAL-071ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4558)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051VAL-104ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2879)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ASN-061ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-6.5652)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ASN-143THR-1', method='CCSDBF12', mode='CP', basis='adz', value=1.8643)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052GLN-069ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-9.7937)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052GLN-117PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ILE-056GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9574)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ILE-087VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=0.6046)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ILE-100VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=0.0998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-060LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-062PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1704)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-062PHE-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.9319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-070PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5760)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-141PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9166)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-152PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3692)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-056MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.3704)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-061CYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-071PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8017)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-073THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9113)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-075ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8965)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-111PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8155)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-141MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.8409)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-148ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5805)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-157ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PRO-109LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3556)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052SER-063PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052TYR-058PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3044)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052TYR-061ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-24.0886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052TYR-116PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.2556)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052VAL-057SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ASN-063SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.1904)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ASN-131VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0892)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ASP-058TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3843)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-066LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=0.2028)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-069PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8630)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-075LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=0.0617)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-077LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4800)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053LEU-057PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7102)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053LEU-091ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3435)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053MET-140ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-5.6767)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053SER-089GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-18.7900)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-059LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9967)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-083ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-24.5040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-092TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.0488)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-094LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-142ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8337)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-169MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.7943)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-057ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.9008)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-068PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2097)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-074ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-117PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3307)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054ASN-069PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.8189)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054ASN-141ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=2.2700)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054GLU-057ARG-2', method='CCSDBF12', mode='CP', basis='adz', value=-93.4675)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054GLU-058ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-117.0071)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054GLU-141GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-12.7920)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054ILE-074ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=0.7997)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-061LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5843)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-063PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0134)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-069VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-091LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-091LEU-2', method='CCSDBF12', mode='CP', basis='adz', value=0.8408)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054PHE-101ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4404)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054THR-057ASP-2', method='CCSDBF12', mode='CP', basis='adz', value=1.4197)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054VAL-091ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=0.0419)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054VAL-097ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3235)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASN-058GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.8207)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASN-058TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3345)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-069ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-116.9927)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-104LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-86.0491)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-105TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-9.8492)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-185ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-111.4428)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055GLN-272GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=6.5323)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055GLU-121LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-059ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5435)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-061CYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3567)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-151THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7177)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-155ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=1.5343)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055LEU-060VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5659)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055PHE-139ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8008)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055PHE-141GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1388)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055PHE-141GLN-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.0944)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055SER-071PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1017)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055SER-152PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.5154)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055THR-072THR-1', method='CCSDBF12', mode='CP', basis='adz', value=0.6458)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055VAL-059ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ALA-061VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3882)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ALA-175PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3815)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ARG-061LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1547)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056HIE-287LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6799)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056HIE-287LEU-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.9172)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ILE-059PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8448)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ILE-059PHE-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.8335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056LEU-069LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2567)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056LYS-160ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-109.1685)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056MET-059MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8706)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056MET-181ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6240)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056PHE-062PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8906)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056PHE-129PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056PHE-152PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9097)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056SER-076LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2997)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056TYR-062TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.7241)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056TYR-064VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=0.0489)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056TYR-084ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057ARG-067VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0146)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057GLU-061ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-88.3187)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057MET-060MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6514)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-060LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-066ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-098VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1202)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-116PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8425)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-163ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9129)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PRO-063TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1838)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057TYR-091LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.8887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057VAL-084ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.2374)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057VAL-084ASP-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.9270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057VAL-181ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6978)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ARG-062LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6832)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ARG-141GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-10.0470)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ASP-279LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-108.3478)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058GLN-067PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.2041)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058GLN-067PHE-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.7258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058HIE-067GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1240)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058HIE-115GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.0588)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ILE-097TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4445)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LEU-071VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LEU-084LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=0.1399)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LEU-094GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LYS-122VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.0636)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-062ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-062TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.5578)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-070TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.9536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-081PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.8316)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-101ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=1.3708)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-131VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3622)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TRP-084SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.0937)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TRP-180SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8498)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-062GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6507)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-062GLN-2', method='CCSDBF12', mode='CP', basis='adz', value=-2.0916)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-062LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-8.0414)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-066VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3999)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-068ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4340)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-077ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6524)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058VAL-085ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0575)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ARG-065MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0728)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ARG-067GLN-2', method='CCSDBF12', mode='CP', basis='adz', value=-22.9848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ASN-062LYS-2', method='CCSDBF12', mode='CP', basis='adz', value=-27.0510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ILE-068ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4873)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ILE-094LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LEU-117VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6318)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LEU-117VAL-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.0807)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LEU-119GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.2664)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LYS-063ASP-2', method='CCSDBF12', mode='CP', basis='adz', value=-115.8416)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LYS-075TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-6.9669)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LYS-135ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.7588)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-063ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.1993)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-118THR-1', method='CCSDBF12', mode='CP', basis='adz', value=0.1743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-120TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3686)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-127ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3614)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059THR-088TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059VAL-084LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7051)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059VAL-136TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1347)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060ALA-081LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4813)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060ASP-165ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=78.9256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-068PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3956)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-095PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7614)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-095PHE-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.6076)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-098VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3284)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-120VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7472)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-152PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7631)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060MET-070GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=1.3825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060THR-087LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-17.7275)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060THR-176ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-12.4435)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060TYR-064LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7770)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060TYR-128PRO-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.3037)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060VAL-063TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6623)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060VAL-157PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6483)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ALA-080ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=0.1008)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ARG-083GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.1845)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ARG-083GLU-2', method='CCSDBF12', mode='CP', basis='adz', value=-91.0441)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ARG-084LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1712)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ASN-065ASN-2', method='CCSDBF12', mode='CP', basis='adz', value=-4.6081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ASP-065LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-5.9188)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-080ARG-2', method='CCSDBF12', mode='CP', basis='adz', value=-77.8871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-088PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.0756)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-142MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-7.7821)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-145LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.5877)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-064PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-086ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-089MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2151)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-091ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=0.1094)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-092TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=0.0983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-098LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5162)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-155ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.1493)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061LEU-065MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3591)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061LEU-079ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-068VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3552)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-086VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8388)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-086VAL-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.4369)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-099ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.6207)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-117VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4659)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PRO-088PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8834)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061THR-081THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061THR-083GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-14.9458)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061TYR-066LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.6833)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061VAL-064TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9303)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061VAL-066VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=0.5655)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061VAL-068ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6744)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ALA-070MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8167)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ASP-080ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-86.1363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-110GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-6.5350)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-112PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8255)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-171PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=2.8251)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-173TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.9677)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-173TYR-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.0330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-070GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-7.7589)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-072LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5168)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-073TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=4.7871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-076ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-067ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1290)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-069TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.6572)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-105TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2781)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-107PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6451)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LEU-075ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1457)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LEU-077ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4007)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LEU-079LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LYS-067PHE-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.2132)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LYS-147GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.9847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062PHE-120TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3308)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062PHE-128PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=0.3368)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062THR-099ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-8.9985)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062THR-102HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8535)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TRP-073ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1241)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TRP-164PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.0509)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TRP-166PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-077PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.6111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-083GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-21.7607)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-084ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7389)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-093ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1276)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-095TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.7654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063ASN-081THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.0133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063GLN-067ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=12.9315)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063GLN-136TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.7508)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063GLN-165ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-9.4254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063ILE-077LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063LEU-068HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1286)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063LEU-108LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063LEU-140LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0309)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-090GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3055)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-090GLN-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.5690)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-091ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5766)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-094VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7760)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063THR-092TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5631)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-081TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=2.1717)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-085MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.9029)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-098LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9587)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-136PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1458)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063VAL-067LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3544)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063VAL-154THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3844)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064GLU-111TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-072PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0231)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-084TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.5620)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-084TYR-2', method='CCSDBF12', mode='CP', basis='adz', value=-2.4158)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-090TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8524)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064PHE-097PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9966)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064PHE-123THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7554)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064PHE-125TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.4448)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064SER-171PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=1.8712)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064THR-116PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4945)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-068LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.8659)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-078PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.8311)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-082VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-083LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-164PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.9459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064VAL-073ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0009)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064VAL-143GLN-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.3658)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065ALA-070PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065ASN-110GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.1669)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065ASP-110GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.8155)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065GLN-088TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065LEU-077VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065LEU-080VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7478)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065MET-117PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4803)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065PHE-095LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4263)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065PRO-101LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065PRO-111TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.0369)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065SER-068TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=1.0157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065SER-108TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.2517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065THR-069ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3858)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065THR-082LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8384)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065TRP-146THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065TRP-154THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065TYR-090PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4212)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ALA-084ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1596)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ALA-136TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8052)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ARG-167GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-117.3936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ASP-069ARG-2', method='CCSDBF12', mode='CP', basis='adz', value=-92.7472)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066GLN-070ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.3367)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066HIE-069GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.8373)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ILE-146VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4398)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066LEU-073PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7722)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066LEU-138THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4022)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066PHE-075LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5372)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066PHE-109SER-1', method='CCSDBF12', mode='CP', basis='adz', value=0.2016)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066PRO-095TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.2789)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066TRP-109TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.2498)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066TRP-110PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.2983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066VAL-085ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=0.4148)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067ARG-077ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=0.4072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067ASP-070ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.0011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067GLN-115GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-5.7421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067GLN-117PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.2270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067GLU-139TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.3327)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067HIE-070HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.1801)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067HIE-086GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.8183)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067LEU-078LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4028)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067LEU-107LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2669)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067LEU-109VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4144)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067PRO-095TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.4663)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067PRO-101ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067SER-073TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8586)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067THR-080TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7778)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067THR-082VAL-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.5322)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067VAL-085ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=2.1770)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ARG-072THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-12.0100)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068HIE-075LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-10.1090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068HIE-080GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=1.6979)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068HIE-123ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-25.0360)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ILE-072LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.0369)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ILE-084TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4077)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ILE-091LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=0.1529)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068LEU-081VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1102)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068LEU-146PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7883)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068MET-131LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=0.5719)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-076LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-076LEU-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.7621)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-077ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0724)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-077VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5967)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-080LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-080VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6915)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-083LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-110LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6027)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068TYR-073ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068TYR-078ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.6432)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068TYR-082HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0367)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069ARG-075ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.5779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069ASN-119VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3783)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-076ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6784)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-076ILE-2', method='CCSDBF12', mode='CP', basis='adz', value=-6.0165)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-078ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-116.3250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-123ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=61.8880)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069HIE-075ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069HIE-078PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.3066)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069ILE-101ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=0.6975)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069PHE-078GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-5.2607)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069PHE-080TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.5823)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069PHE-166TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=2.3811)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069THR-080LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3643)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-073TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.9016)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-086GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8700)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-086ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4263)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-114VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3139)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070ASN-080GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=8.0723)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070ASP-076THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-14.5915)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070GLU-073LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.2061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070GLU-073LYS-2', method='CCSDBF12', mode='CP', basis='adz', value=-91.9646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070MET-075ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4542)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070PHE-120TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.9488)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070SER-082VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6112)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070THR-120ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=5.9949)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070THR-124THR-2', method='CCSDBF12', mode='CP', basis='adz', value=-4.1425)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070TRP-084VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7748)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070TRP-138LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.8986)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070TRP-174PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.8061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071ASP-074LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.4592)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071LYS-195ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.8607)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-080ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5670)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-080LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6019)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-086ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9385)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-108ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7824)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-114SER-1', method='CCSDBF12', mode='CP', basis='adz', value=0.1662)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071SER-082HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-5.1812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-076LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7807)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-078GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.1652)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-099TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.9594)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-100SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.2224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-125PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4376)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-165ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=0.0038)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-166TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.6903)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-077ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1283)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-083ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2897)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-085ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1445)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-119VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=0.4187)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ARG-116ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-93.0636)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ARG-118TYR-2', method='CCSDBF12', mode='CP', basis='adz', value=-5.6072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ASN-075ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-18.0828)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072HIE-093TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.2721)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072HIE-095PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3520)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-077PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-082HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-116PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7101)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-116PHE-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.0661)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072THR-175GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6981)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072TYR-076ARG-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.0541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072TYR-127ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=0.0634)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072VAL-176PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ARG-076LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.7998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ARG-119ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-102.1759)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ARG-163ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=0.0739)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ASP-135ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-110.1137)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ASP-193VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.1910)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073GLU-077ASN-2', method='CCSDBF12', mode='CP', basis='adz', value=0.9084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073GLU-119SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-18.3904)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ILE-128ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7092)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073LEU-120TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073PHE-077TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.9971)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073PHE-079LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4105)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073SER-090SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.2783)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073SER-178SER-1', method='CCSDBF12', mode='CP', basis='adz', value=0.2263)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073TRP-089TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.0249)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073VAL-111ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7953)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ALA-083TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4366)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-130TYR-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.6473)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-135SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-135SER-2', method='CCSDBF12', mode='CP', basis='adz', value=-11.9760)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-136GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.0997)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-147TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1892)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-147TYR-2', method='CCSDBF12', mode='CP', basis='adz', value=-5.0426)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074GLN-094ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-5.3608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074GLU-096ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-60.4013)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LEU-079TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7288)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LEU-102PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LEU-107PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.7820)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LYS-127ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4099)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074PHE-080LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4736)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074PHE-083HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0305)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074SER-091PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1957)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074SER-111GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-19.6895)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074VAL-080TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.7754)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074VAL-083ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5752)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074VAL-190LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2019)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075GLU-079GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-12.2252)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075GLU-079GLU-2', method='CCSDBF12', mode='CP', basis='adz', value=76.8326)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075ILE-080ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4479)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075ILE-112LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3023)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075LEU-094ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075LEU-111LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0358)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075LEU-111LEU-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.0630)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075PHE-093PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0223)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075PHE-182ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.8225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075PHE-184PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7174)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075SER-078TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1376)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075SER-111ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-16.4352)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075TRP-176ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.2316)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-079GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-96.1547)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-120TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.9200)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-208TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-208TYR-2', method='CCSDBF12', mode='CP', basis='adz', value=-5.2017)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-084LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6377)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-089TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-24.7830)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-091PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0348)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-188GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-20.1839)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076GLU-170LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.4347)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ILE-094ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076LEU-086MET-1', method='CCSDBF12', mode='CP', basis='adz', value=0.1595)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076LEU-117ILE-2', method='CCSDBF12', mode='CP', basis='adz', value=0.2466)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076LEU-123THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3127)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076PRO-111TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076PRO-112LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=0.3419)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076SER-082PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9620)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076THR-090SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.9774)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-125ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.6102)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-125ILE-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.8906)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-136TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4091)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-139ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4066)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-143TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.8216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ALA-096ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ALA-138ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0947)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ALA-138ARG-2', method='CCSDBF12', mode='CP', basis='adz', value=0.2088)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ASP-080ARG-2', method='CCSDBF12', mode='CP', basis='adz', value=-84.8292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077HIE-111LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6317)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-102PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5830)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-112ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3858)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-125VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7382)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-128TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6520)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-128TYR-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.0648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077LEU-093VAL-2', method='CCSDBF12', mode='CP', basis='adz', value=0.2301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077LYS-178VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.1664)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077LYS-186ASN-2', method='CCSDBF12', mode='CP', basis='adz', value=-18.9375)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-089PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.8467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-093ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=0.5313)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-097LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1452)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-116PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-160VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3361)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-162PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8875)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-201ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-5.6856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-205GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-8.3057)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078ALA-126VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3053)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078ASP-157LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-103.5456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLN-085LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLN-088GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-19.9616)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLU-099THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.8414)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLU-127GLN-2', method='CCSDBF12', mode='CP', basis='adz', value=-22.9512)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078HIE-081PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.2432)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078LEU-108VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=0.5666)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-082VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6247)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-096ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-104TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.7232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-107ALA-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.6366)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-108LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-179LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4892)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-215ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5851)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-218LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4651)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-218LEU-2', method='CCSDBF12', mode='CP', basis='adz', value=0.6935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PRO-115PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0055)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PRO-186ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.0468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078SER-184PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.0731)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078TYR-082PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.1803)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ARG-083ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-97.1663)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ARG-182ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-109.8636)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ASP-131HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-26.7632)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ASP-135ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.5603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079PHE-089PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9239)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079PHE-100THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0767)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079PHE-104LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9427)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079SER-088ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4745)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079SER-208TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0631)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079THR-089LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079THR-089LEU-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.1521)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079THR-110THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.7529)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-084PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.6454)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-109VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4452)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-112LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3750)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-112LEU-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.8061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-146PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.8270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-153TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1137)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-167GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=2.2084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079VAL-087LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0415)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079VAL-094ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ARG-088PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.6962)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ARG-090ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.9954)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ASP-087LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-111.7182)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080GLU-092ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.8839)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080GLU-155ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-118.2403)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ILE-112LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3290)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080PHE-085LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4305)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080PHE-098SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9946)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080PHE-166PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4959)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080THR-090ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.7575)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-088LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8414)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-090TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.3317)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-095ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-108LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.7415)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-136ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0227)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TYR-129TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.6733)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TYR-172GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=2.0334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ALA-088ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5644)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASN-084LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.2151)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASN-085SER-1', method='CCSDBF12', mode='CP', basis='adz', value=0.1466)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASN-100TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.5989)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASP-092SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-17.8447)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLN-085ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-22.0589)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLU-101ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=6.2780)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLU-103GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1350)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLU-103GLN-2', method='CCSDBF12', mode='CP', basis='adz', value=-13.2810)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081HIE-202PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.2323)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ILE-085ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.2126)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081LYS-105VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.9377)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-106CYS-1', method='CCSDBF12', mode='CP', basis='adz', value=14.3250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-134GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9991)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-134GLU-2', method='CCSDBF12', mode='CP', basis='adz', value=-8.0441)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-138ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.9242)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081SER-087PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9188)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081TYR-085ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.2128)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081TYR-130VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2803)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081VAL-105TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081VAL-149HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ARG-088PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4425)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ARG-088PHE-2', method='CCSDBF12', mode='CP', basis='adz', value=-3.6883)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-121LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3364)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-135ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5591)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-136PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-186VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6441)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082LEU-176PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4435)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082PHE-091ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=1.8438)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082PHE-102TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.0036)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082PHE-104VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6859)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-108LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2060)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-126SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3046)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-127PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.2032)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-130VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ASP-089HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-22.7542)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ASP-105TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=4.5767)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ASP-136ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-93.2180)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083GLU-094TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-6.8795)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083HIE-086GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-24.8958)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083HIE-089ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-24.4249)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ILE-155ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4557)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ILE-173LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2754)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-087LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7682)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-088TYR-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.1693)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-101GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-108VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083THR-086MET-1', method='CCSDBF12', mode='CP', basis='adz', value=1.2919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083THR-087GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0166)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083TYR-087PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.0874)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083TYR-094TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083TYR-096ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1963)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-087LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-094PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3474)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-094PHE-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.3914)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-103TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9987)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-140TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6909)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-153PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=0.0872)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ARG-089ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-87.0615)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASN-099LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASN-103TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-7.6367)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASP-087PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.9798)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASP-107ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-13.4081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASP-126VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.0152)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084CYS-090LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-10.4701)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084LEU-090LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3923)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084PRO-122PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8297)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084PRO-135PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0080)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084THR-107PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.2893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084THR-108TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5144)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084TYR-089ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=1.1552)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084TYR-095LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8128)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085ASN-099TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9619)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085HIE-094TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085HIE-101TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.8614)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085ILE-089ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1889)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085ILE-103LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8787)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-094PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5322)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-108LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2227)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-137ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-138LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4759)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LYS-088GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-111.0803)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LYS-094TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.6234)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085MET-136PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7323)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085PRO-090LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3616)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085TRP-089ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.9113)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085TRP-135LYS-2', method='CCSDBF12', mode='CP', basis='adz', value=-6.5561)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ALA-101GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4163)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ALA-104TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5575)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ALA-136PHE-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.2831)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-091ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-5.6154)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-092TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-5.6930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-112TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-10.6886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-115ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-111.2453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086HIE-089GLU-2', method='CCSDBF12', mode='CP', basis='adz', value=15.3336)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086PRO-090ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0431)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086SER-136TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.4517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086VAL-105LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5197)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086VAL-116VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4717)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087ALA-171PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=0.3302)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087ALA-173TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0155)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087ASN-091LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=4.6962)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087CYS-119ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=7.4228)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087CYS-121LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=0.3201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087GLN-139ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-6.1162)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-095PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8127)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-095PHE-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.8827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-096TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5808)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-109VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2605)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-153PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=0.1121)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087PHE-126VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087PHE-186VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087PHE-188VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7396)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087VAL-102LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=0.2888)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088ASN-092ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088ILE-135LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0141)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088ILE-135PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0014)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088LEU-108ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3789)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088PHE-092LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4968)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ARG-106ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-91.6019)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ARG-108TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-11.9124)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ARG-131VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.8791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ASP-092PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.6490)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ASP-112ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-13.2945)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ASP-131VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.1216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089CYS-105LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8164)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089GLN-117PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.3378)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089GLN-125TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ILE-112TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.2343)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089LEU-127VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5660)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089THR-098LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089THR-098LEU-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.2209)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089TYR-094TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089TYR-153VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ALA-121PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7125)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ARG-187SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-7.2621)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090GLU-119ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-101.1296)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ILE-099LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3416)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ILE-107SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ILE-190VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090LYS-122ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-5.2319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090LYS-122ASP-2', method='CCSDBF12', mode='CP', basis='adz', value=-3.3581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090PRO-129TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1759)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090PRO-154VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1625)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-095ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-7.6924)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-095ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6881)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-099ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-105LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3858)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-112GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=7.0913)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-113ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.7055)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091ASN-096TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-6.4246)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-098SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.0754)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-118THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2228)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-118THR-2', method='CCSDBF12', mode='CP', basis='adz', value=-2.0864)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-121LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.5136)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-122ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=12.0886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-125HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6929)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-127VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2712)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091LYS-140SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5580)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091LYS-140SER-2', method='CCSDBF12', mode='CP', basis='adz', value=-16.6193)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091THR-094HIE-2', method='CCSDBF12', mode='CP', basis='adz', value=-5.7651)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091VAL-094ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=0.2355)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092ALA-164GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092LEU-095HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9966)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PHE-099TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.0423)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PHE-120VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0697)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PHE-131VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6622)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PRO-102HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9958)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PRO-133LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7097)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092TRP-100GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=24.4801)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092VAL-117PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7636)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ALA-099THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4945)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ALA-164ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.8956)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ASN-096LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ASP-097THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-20.9444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093HIE-118GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.4228)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093HIE-120ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2354)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093PRO-184PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9378)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094HIE-099THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8770)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094HIE-104PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.8252)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094ILE-114TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4932)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094LEU-132VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4737)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094LEU-182MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5355)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094LYS-112ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-121.5611)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094PHE-098ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=0.9743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094PHE-141ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094PRO-135MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5673)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094TYR-097THR-1', method='CCSDBF12', mode='CP', basis='adz', value=0.1790)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094TYR-151VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5632)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094TYR-153VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0968)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094VAL-125TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5507)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094VAL-152LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=0.2325)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094VAL-166PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7684)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ASN-164ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-22.6595)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ASP-102TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=5.8664)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095GLN-098TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3836)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095GLN-185THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6455)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095GLN-187ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-5.5553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ILE-120TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ILE-120TRP-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.6375)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ILE-144THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3507)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LEU-103ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2561)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LEU-130VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LEU-133LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2151)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LYS-107ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5835)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LYS-109THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-14.6765)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LYS-127ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-5.5957)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-099LYS-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.8174)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-118ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5639)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-154ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8249)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-160VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6231)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-160VAL-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.1167)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095SER-114THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7104)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095THR-182ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=1.9185)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095TRP-099LEU-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.0756)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095TRP-104VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5325)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095TYR-106TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.6595)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ASP-100ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-20.9560)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ASP-101GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-22.0506)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096GLU-121LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.5872)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-101GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.6500)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-103SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.8321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-126LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1243)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-127ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=12.8729)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-132VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8073)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ILE-127VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1175)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ILE-127VAL-2', method='CCSDBF12', mode='CP', basis='adz', value=0.1723)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096TRP-110LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7479)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096VAL-105LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=0.5427)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096VAL-108THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4758)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ALA-105LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3820)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ALA-117HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6276)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ASN-102TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.2998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097GLU-101ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-102.3095)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ILE-105THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097LEU-111PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7687)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097LEU-113ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=1.9400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097LEU-128PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4530)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PHE-103ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3808)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PHE-181TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.1515)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PHE-183ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4963)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PRO-106ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TRP-145LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0308)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TRP-173TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.2360)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TRP-213ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5384)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TYR-101TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.5903)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TYR-179LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.5696)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TYR-179LYS-2', method='CCSDBF12', mode='CP', basis='adz', value=-3.9644)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097VAL-112TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5117)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098ILE-145ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3991)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-101VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6562)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-115SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7715)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-117ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-136PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6378)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-144VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-144VAL-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.2887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-146TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5454)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098PRO-101GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098PRO-102ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=0.4333)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098PRO-114PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3310)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-112PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4914)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-127VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=0.4874)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-138TYR-2', method='CCSDBF12', mode='CP', basis='adz', value=3.1157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-164ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-16.9353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-101GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8475)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-105TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3674)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-152ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3889)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-286TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5140)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-287LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1139)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-102HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.8564)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-147VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4293)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-149ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-177ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-103.4711)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-216GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-86.9229)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099GLN-108GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.4927)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099GLN-148HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.6845)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ILE-103ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099LYS-104THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4210)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099MET-107ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5971)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099MET-126VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=0.7326)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099PRO-104TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0482)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099PRO-164PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7555)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099PRO-166GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.5620)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099TRP-118PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8770)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099TRP-272GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-23.2177)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ALA-112PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0966)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ASN-113LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ILE-103HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ILE-104LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.5844)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100LEU-130VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100LEU-134ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100LEU-142LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0315)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100SER-119GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-19.5727)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100SER-131VAL-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.7965)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100SER-148ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=2.6401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100THR-104LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100TRP-103LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-10.8824)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100TRP-103LYS-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.8677)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100VAL-283ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3838)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ALA-104ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=0.2036)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ALA-128ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ALA-138TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ARG-142LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.5689)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ASN-125HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.7972)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ASP-145THR-2', method='CCSDBF12', mode='CP', basis='adz', value=-18.1565)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ILE-110LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3019)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ILE-110PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ILE-123ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4751)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101LEU-111TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101LEU-125TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0562)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101LEU-132ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3575)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TRP-132VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5690)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TRP-135LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.8825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TRP-177ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5634)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TYR-151VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8498)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101VAL-106LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6052)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101VAL-132PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8580)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101VAL-132PHE-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.7515)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ALA-114PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=0.3186)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ASP-106SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.2484)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-109TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.1022)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-127GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3144)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-269HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.3020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-270TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.6479)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-272GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.7772)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-110ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3080)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-145ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3951)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-149TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8016)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-149TYR-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.2349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-153PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4234)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102SER-165LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-7.7143)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102SER-169ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-17.3942)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102VAL-133PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4554)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ASP-149TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-21.6388)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ASP-269HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-10.4928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLN-108PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.7969)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLU-106LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-112.4921)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLU-108TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-19.8675)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLU-177ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=82.7013)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103HIE-168TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-10.1789)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ILE-110VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3763)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ILE-130VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4156)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ILE-132PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4274)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103PHE-122MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8644)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103PHE-127LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5595)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104ALA-125TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=0.1684)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104MET-112ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6128)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104MET-133PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7682)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-107ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3630)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-129ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.5893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-147LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1008)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-166GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-21.2570)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-168LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.2059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-169PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1956)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-202PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.4502)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-205GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6150)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104VAL-108ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4166)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104VAL-112SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3195)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104VAL-126ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5118)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ALA-115GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2558)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ASN-139VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7579)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ASN-146GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=1.3497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ASN-154ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=6.0445)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ILE-128LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=0.0167)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ILE-131ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1993)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ILE-135LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105LEU-114TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105LEU-168ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105LEU-175PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0479)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PHE-127LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6131)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PHE-130ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.3384)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PHE-130ARG-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.2199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PRO-128ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=0.5393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PRO-181TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-6.7560)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105TYR-149HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.9068)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106ASN-130HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=2.1372)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106ASP-133GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=5.8330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106GLU-129LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-112.9233)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106ILE-168ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106LEU-126LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106LEU-149PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106LEU-149PHE-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.2608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106PHE-109PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.7298)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106PHE-178LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.7439)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106SER-128PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=1.3348)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106TYR-112SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5441)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106VAL-112LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3649)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107ASP-125ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-23.6312)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107ILE-153TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6159)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107ILE-158MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6008)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107THR-125ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107THR-129LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-17.8183)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107VAL-147PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6136)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107VAL-147PHE-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.5923)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108ILE-122VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3747)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108ILE-146GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=0.0653)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108LYS-131ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1605)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108LYS-160LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=0.0625)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108PHE-125TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.2291)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108PHE-127PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.2649)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108PHE-150VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4787)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108TRP-151ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108TRP-155VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1290)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109ARG-115GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-112.0197)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109GLN-161GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8969)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109GLN-161GLU-2', method='CCSDBF12', mode='CP', basis='adz', value=-12.2325)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-113ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3762)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-181ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6347)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-182VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6823)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-185VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5784)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-228TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.0212)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109SER-137ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=2.4070)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109THR-131VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8188)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109THR-158MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2537)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109VAL-164ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0992)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ALA-161PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0950)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ALA-164ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1657)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110GLU-129LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-114.0312)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-116PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6406)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-149ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7461)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-151VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6572)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-162VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5241)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110LEU-125VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1794)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110LEU-127ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1299)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-123ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=0.0624)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-128PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9573)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-222TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.1383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-226LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-226LEU-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.7820)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110THR-127GLN-2', method='CCSDBF12', mode='CP', basis='adz', value=-5.5012)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110THR-129TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.9254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111ASP-156SER-2', method='CCSDBF12', mode='CP', basis='adz', value=9.1895)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111ASP-193HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-10.1251)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111HIE-218LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.6272)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-116ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5042)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-130TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8739)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-158LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2783)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-169LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111TRP-115GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.9824)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111VAL-125ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3311)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ALA-128PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ALA-131VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ARG-115ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3377)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ARG-125PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4593)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ARG-127GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0092)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ASP-183GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=85.7061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ILE-125VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=0.2095)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ILE-142ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5947)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112LEU-142PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112LYS-127LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6492)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112PHE-121LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0734)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112PHE-125HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TRP-119ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6384)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TRP-119ARG-2', method='CCSDBF12', mode='CP', basis='adz', value=-2.3408)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TRP-120VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2260)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TYR-125GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TYR-128LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TYR-190ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-7.6158)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-118ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.5005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-120VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2888)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-122VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-225TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6002)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ASP-195GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-14.2992)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-131VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3293)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-164HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8696)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-185VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=0.3267)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-190ARG-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.5140)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-232ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5721)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113LYS-117GLU-2', method='CCSDBF12', mode='CP', basis='adz', value=-3.3214)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113LYS-170VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2719)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113LYS-173GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-123.1517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113SER-120ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0906)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-119PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0195)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-124HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.6483)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-126ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-171ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-21.3422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-178ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.5864)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TYR-124THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8097)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113VAL-120HIE-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.3460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113VAL-143PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114ALA-160ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2612)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114ASN-122ARG-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.4709)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114ASP-179LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.7597)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114GLU-144ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-7.3157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114GLU-146ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-119.1084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114LEU-118ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2180)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114LYS-225TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4590)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114VAL-167GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.6649)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115ASN-124LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6694)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115ASP-156ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=85.0084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLN-118ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.8184)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-123PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7678)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-123PRO-2', method='CCSDBF12', mode='CP', basis='adz', value=-3.6178)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-160GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=63.0241)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-163TYR-2', method='CCSDBF12', mode='CP', basis='adz', value=-3.8573)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115MET-168TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4186)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115PRO-129TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.6330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115THR-138VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2579)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115THR-142GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-18.9068)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115THR-142GLU-2', method='CCSDBF12', mode='CP', basis='adz', value=-17.3003)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115VAL-122MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3116)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115VAL-123PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3736)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115VAL-130ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.0459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116ALA-162PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4200)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116LYS-144SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-8.6127)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116PHE-130VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0426)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116PHE-165VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4392)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117HIE-123PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9833)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117ILE-142PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6524)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PHE-125TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4327)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PHE-130HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PRO-126ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4999)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PRO-129TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=1.7110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PRO-130LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0237)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117VAL-166ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4036)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ALA-160VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0291)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ARG-157ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=9.9571)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ARG-185ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=63.4238)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ASP-136HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-25.4224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118GLN-121PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5800)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118GLU-173PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.4561)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118GLU-176THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4481)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-136VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2652)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-165ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1088)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-166TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7894)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-178TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7236)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118THR-121LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6230)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118VAL-162PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2896)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119ALA-160LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3366)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119CYS-168HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.8008)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119LEU-137ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=0.4054)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119LEU-137ALA-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.0257)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119LYS-186VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4626)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119MET-144SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5763)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119PHE-124HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119PHE-176THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6695)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119SER-123ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.2167)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119SER-140TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1663)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119THR-123THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5733)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119THR-123THR-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.1361)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119TYR-174ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6527)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120HIE-185ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2341)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120ILE-123TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-123ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0851)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-124ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.4981)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-124LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7783)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-135ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4641)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-171TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9878)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-171TYR-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.0338)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LYS-138VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2448)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LYS-142ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-98.7011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120PRO-126ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1875)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120SER-136HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9109)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120THR-143VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0970)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120THR-147GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-18.9289)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120TYR-141PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8413)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120VAL-123ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5222)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120VAL-154ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4294)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120VAL-275LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121ASN-132THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7243)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121GLN-144ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-21.9611)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121LEU-125HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3187)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121LEU-125HIE-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.3243)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121PHE-126VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121PHE-191LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4060)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121PHE-219TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0653)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121TYR-125LEU-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.5517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121VAL-157ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5384)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122ASP-125LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.1462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122LEU-188VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122MET-126GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-7.4137)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122VAL-125ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8233)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122VAL-143VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122VAL-152PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0821)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123ALA-128VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2034)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123ALA-158ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=2.5078)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123ARG-127GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.8033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123MET-140ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2726)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123SER-182ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=0.1440)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123THR-136SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.5661)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123TYR-154VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6521)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123VAL-134LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1734)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ALA-156THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ASP-131THR-1', method='CCSDBF12', mode='CP', basis='adz', value=4.7363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ASP-132THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-19.3663)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ASP-134ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-111.5342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124GLN-200ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5409)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124HIE-140GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-24.1387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124HIE-143VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1409)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124LEU-136HIE-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.0372)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124LEU-181VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1440)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125GLU-192PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.8220)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125ILE-136TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4149)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125LEU-129LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8564)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125PHE-143VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7248)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TRP-138SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.2305)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TRP-150VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8540)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TRP-152LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3878)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TYR-164HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.0265)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ALA-140GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5096)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ASN-129ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4097)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126GLU-130ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-103.5051)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ILE-136PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4166)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ILE-139PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8080)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ILE-139PHE-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.8419)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126LEU-130HIE-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.7275)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126LEU-162PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5714)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126LYS-158ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2344)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126PHE-132HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0855)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126PHE-171TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.7871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126PHE-176TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.8553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126SER-171ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4642)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126THR-197TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7445)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127ALA-177ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.7959)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127GLU-146ARG-2', method='CCSDBF12', mode='CP', basis='adz', value=-96.6347)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127GLU-269HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7055)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127GLU-269HIE-2', method='CCSDBF12', mode='CP', basis='adz', value=13.6517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127LEU-210VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1880)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127MET-131LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0324)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-132ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-133SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6058)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-138SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.2005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-140HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.2847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-158VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4989)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-183TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.6103)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-206ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7561)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-237ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-239PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.2666)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128ILE-131LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3759)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128LYS-183TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.5741)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128PHE-235LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3895)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128PHE-252LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2306)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128PRO-275LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128TYR-158MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.1800)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128TYR-160LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7679)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128VAL-160LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129ASN-132TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.7581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129ASP-140HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-24.3911)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129ASP-148TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.5648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-155PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-192PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9777)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-195PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=0.3624)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-277TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3402)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-277TYR-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.6886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129PHE-133VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5901)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129PHE-156ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-6.5256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129PHE-166PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3097)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129TYR-133ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-7.1273)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129TYR-136TYR-2', method='CCSDBF12', mode='CP', basis='adz', value=-2.3018)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129VAL-159PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5994)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129VAL-184PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130ARG-170TYR-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.9870)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130ARG-244ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4529)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130ARG-248GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-76.1357)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130GLN-134GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-16.8426)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130GLN-137ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=1.0321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130PRO-135ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7168)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130PRO-139ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3376)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130PRO-180PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6455)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130SER-149HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-7.7149)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130SER-153TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-5.0564)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130VAL-139ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=0.7263)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130VAL-162VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3179)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130VAL-185PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6009)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ALA-140HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3746)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ARG-134GLU-2', method='CCSDBF12', mode='CP', basis='adz', value=-79.2891)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ASP-147PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7897)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ASP-182PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.7627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131LEU-136VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=0.2324)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131LEU-160MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4122)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131PRO-219VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1810)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131PRO-220GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.7235)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131THR-149LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3177)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ARG-136ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.7400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ASP-156ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-101.9172)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132HIE-135LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5716)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132HIE-147ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-25.2815)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132HIE-149ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9807)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ILE-135PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ILE-138TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=0.6628)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ILE-146TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132LEU-198PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5070)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-162VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0014)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-174SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4472)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-176VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7746)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-183GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4745)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132TYR-136PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3498)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133LYS-136ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-102.4169)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133LYS-198PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133PRO-151ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.4723)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133SER-161GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-17.3025)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133TRP-143MET-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.7556)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133TRP-148VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=1.4220)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133TRP-277TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=2.3631)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133VAL-137ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.1810)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133VAL-146TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3164)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134GLU-138ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-103.2262)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134ILE-147ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.3584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134ILE-167LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1274)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134LEU-205TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135ARG-193VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.6246)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135ILE-180PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4811)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LEU-139LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LEU-163LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0144)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LEU-179LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0711)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LYS-157GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-105.0581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LYS-177ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PHE-147TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.8515)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PRO-140SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4034)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PRO-144LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PRO-155PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8113)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135TRP-147GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.6948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135TRP-208ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136ARG-142ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.7755)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136ASP-198PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-6.3799)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136ASP-201VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.7109)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136CYS-143PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4195)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136PHE-141ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4355)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136PHE-146TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136SER-144ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-13.8629)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136TRP-155CYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9350)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136TRP-165ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-22.1536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136TRP-179MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136VAL-169LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4203)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137ARG-154TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.5899)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137ARG-154TRP-2', method='CCSDBF12', mode='CP', basis='adz', value=-6.0414)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137ARG-157GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-100.3569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137GLU-143MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.9263)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137SER-156ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4567)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137TYR-166SER-1', method='CCSDBF12', mode='CP', basis='adz', value=0.2072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138ARG-142GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-92.1220)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138ILE-156ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4770)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138LEU-149PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138PHE-153PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.9415)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138SER-169VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4650)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138TRP-146PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.2760)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138TRP-243LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=0.4039)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138VAL-144ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0662)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139ASN-154SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.6267)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139GLU-144LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-115.6384)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139ILE-143TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9451)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139LEU-204TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139PRO-180PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9954)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139TYR-148SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0120)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140GLU-143VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.3141)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140GLU-155THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-16.2148)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140GLU-156ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-118.0038)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140LEU-168LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=0.1868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141GLN-160PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4515)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141LYS-144GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-110.7218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141MET-155ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141PHE-152PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4404)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141SER-144ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-13.2488)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141SER-154ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0949)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142GLN-154GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.9109)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142ILE-155LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1154)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142ILE-155LEU-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.4408)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142ILE-185VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5718)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142PHE-170ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4063)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-147LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-8.4391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-148TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.6877)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-150VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=0.1149)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-160PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.5480)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-170ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-199THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5739)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-203VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5794)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143ARG-187ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-115.1395)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143ARG-188LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=63.0901)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143GLN-147GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-22.8463)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143ILE-146VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1874)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143LEU-160ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.5761)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143TRP-146LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.6420)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143TYR-150ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1953)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143VAL-147LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4280)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143VAL-152PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5188)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144ARG-147GLU-2', method='CCSDBF12', mode='CP', basis='adz', value=-91.9556)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144ASP-150SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-15.0121)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144ILE-155THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144LYS-161GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-121.7251)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144PHE-153LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.5307)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144PHE-155ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2849)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='145GLN-149MET-2', method='CCSDBF12', mode='CP', basis='adz', value=4.6366)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='145LEU-149PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6127)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='145THR-149PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0189)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146ARG-207GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-117.6856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146GLU-158SER-1', method='CCSDBF12', mode='CP', basis='adz', value=9.8611)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-149PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.0527)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-150LEU-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.1534)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-150VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-164TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-165PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6200)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-199LYS-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.0087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146VAL-161VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3617)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146VAL-161VAL-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.1917)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146VAL-165HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1308)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147ASP-171TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-24.4396)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147ASP-188LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-110.7037)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147LYS-203VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2994)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147PHE-159PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.8786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147PHE-182PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3638)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147VAL-175SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4593)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148ALA-158LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3853)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148HIE-152GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.3602)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148ILE-202VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2143)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148ILE-204ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.8878)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148PHE-164HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.0827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148PHE-165TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.5646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148SER-163ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4070)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148TYR-170ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7614)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-167THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7454)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-171TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.4395)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-175SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.9486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-177ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-5.7379)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149LEU-152GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1530)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-159ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-164PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7242)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-165PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.2278)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-169VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PRO-152GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.5662)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PRO-152PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4184)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149THR-157PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149TYR-153PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.7667)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150ARG-157ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-112.0627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150ARG-208ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.8233)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-153PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3844)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-154TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-159PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8354)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-167LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-170HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6744)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-202LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3745)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-203GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.1268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LYS-158LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='151ILE-159VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=0.4252)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='151SER-159PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0814)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='151THR-163THR-1', method='CCSDBF12', mode='CP', basis='adz', value=6.1237)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152ASP-156LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.6826)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152ASP-158LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8966)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152CYS-197VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=1.1967)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152LYS-156ASP-2', method='CCSDBF12', mode='CP', basis='adz', value=-114.7643)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152LYS-277TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.7436)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153ASP-156ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-66.3796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153ASP-200ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-105.3075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153LYS-203GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-114.9466)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153PHE-163LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7810)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153TRP-158MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.1903)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ARG-204ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=62.7038)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ARG-208TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-9.4386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ILE-159GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3279)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ILE-160VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3112)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154LEU-191TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6985)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154LYS-159ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2310)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154TYR-203GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=5.8102)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154TYR-207ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=1.1382)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PHE-197TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1958)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PHE-277TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.1004)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PHE-284LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3590)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PRO-170TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7264)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-171ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-94.3150)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-172THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-13.9724)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-197GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-113.3802)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-200TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.8675)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-200TRP-2', method='CCSDBF12', mode='CP', basis='adz', value=-11.5150)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156SER-191TYR-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.1925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157ASP-202VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.9003)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157ASP-204ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-117.1847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157ILE-160CYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9203)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157MET-181ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=0.0686)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157MET-192ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5554)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157PRO-161VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6178)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157VAL-167PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7568)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158ALA-193HIE-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.4538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158ALA-284LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158ILE-164LYS-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.4215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158LEU-172THR-1', method='CCSDBF12', mode='CP', basis='adz', value=0.0556)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158VAL-169VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=0.4717)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158VAL-205TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7272)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ALA-197TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2346)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159GLU-170LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.9392)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-172TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0031)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-199LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5375)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-200TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9540)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-203PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1717)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PHE-206ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4348)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PRO-164VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1548)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PRO-178TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.6667)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PRO-192ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159VAL-180LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7311)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160LEU-164TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1097)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160MET-169LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6559)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160PHE-169VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9596)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160PHE-203VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161ARG-285ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-85.6972)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161ARG-288ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.6061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161ARG-292GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-118.5958)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161THR-194VAL-2', method='CCSDBF12', mode='CP', basis='adz', value=0.1429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161TYR-201ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.5446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161TYR-204ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6881)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161VAL-170LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0098)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162ALA-174ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162ALA-175TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.5477)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-198PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7488)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-201LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1086)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-203VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4519)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-208ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=0.4349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-284LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1054)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162PHE-168LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.2187)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162PHE-207ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9476)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162VAL-167CYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4961)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162VAL-167TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0568)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162VAL-167TYR-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.7179)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ARG-201LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.8782)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ASN-166ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1291)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ASN-196ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.7325)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ILE-166CYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1649)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163LEU-171ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163LEU-175LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=0.1940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-174ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.5436)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-178TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4563)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-180LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6452)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-180LEU-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.7494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-183LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-5.8251)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-184VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7107)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-187GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=4.9964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='164VAL-171ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6048)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='164VAL-225LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3283)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165ALA-292GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.9007)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165GLN-224MET-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.2343)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165LYS-169ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-111.8613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165PHE-169VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-168ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=3.9156)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-171VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-208ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-208ILE-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.7996)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165VAL-177ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3089)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='166ILE-187ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2337)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='166PRO-171VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2615)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='166PRO-172VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=0.0221)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='167GLU-187ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-115.9876)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='167PHE-170TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.8532)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='167PRO-170VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6994)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168HIE-180GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-23.9199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168ILE-178VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1522)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168LEU-172ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.0974)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168LEU-211ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.5088)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168TYR-203ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8257)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168TYR-224MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0337)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169ASP-172SER-2', method='CCSDBF12', mode='CP', basis='adz', value=-18.0126)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169LEU-181TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9709)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169LYS-172ILE-2', method='CCSDBF12', mode='CP', basis='adz', value=-2.4581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169LYS-291ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0892)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169MET-184VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=0.2555)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170ALA-175TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8358)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170HIE-174LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8272)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170LEU-178LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7030)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170LEU-186TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6977)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170THR-180GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171ASP-176THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-16.7954)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171THR-180SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.8014)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171TYR-180PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=3.0391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171TYR-231VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6203)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='172ASP-204TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-24.8553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='172ILE-235VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3501)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='172TYR-193VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4623)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173ARG-234ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-115.4990)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173ARG-296LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=59.0995)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173CYS-269HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3402)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173CYS-270TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173LEU-190VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173PHE-176THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173TYR-211PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6805)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173TYR-213ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4355)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173TYR-245ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8891)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174ASN-178LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-24.4453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174MET-177ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8324)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174THR-205LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9916)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-203VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5622)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-205PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0997)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-270TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=0.1788)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-273GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4208)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-273GLU-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.5723)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='175LEU-233ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='175VAL-268LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6861)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='175VAL-274ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-6.2809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ALA-195LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4487)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ARG-182GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-113.6139)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ARG-273GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-75.8980)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ILE-198PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ILE-201ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2652)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ILE-205LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=0.0055)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-204TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1064)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-208ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3933)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-208ALA-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.2654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-214PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0516)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176THR-180LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4870)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='177ASP-216GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=71.3483)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='177GLN-190VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8247)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='178SER-239ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-17.6847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179ALA-225TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2838)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179ALA-238MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4915)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179ALA-250ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5484)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179LEU-239PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.2224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179TYR-216GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=5.0377)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179TYR-250PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.8087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179TYR-258TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.1446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180ASN-219SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.2495)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180ASN-229TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.7499)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180GLU-187ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-100.6855)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180GLU-189ARG-2', method='CCSDBF12', mode='CP', basis='adz', value=-104.1895)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180GLU-194ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-114.3674)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-184VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-209TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-10.1442)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-214PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9721)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-224ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181ILE-228TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7355)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181THR-195SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.5880)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181TRP-185GLN-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0682)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181TRP-189SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4951)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181TRP-258TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.9388)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ASP-186ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-10.8380)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ILE-192ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3572)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ILE-239PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ILE-242LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182PRO-186LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0065)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182PRO-186LEU-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.7149)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182PRO-189ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.2233)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-190LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0219)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-194ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5451)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-205LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=0.6211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-209TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=2.6327)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183TYR-186LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-13.9573)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184ASP-187ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-87.1411)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-205THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0312)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-209LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9718)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-225TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4739)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-228VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5718)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-238MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1635)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-255TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1399)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184THR-220ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2322)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184VAL-225GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.2713)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185PHE-190LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4346)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185TYR-220PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185VAL-224ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=0.1587)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185VAL-228TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7969)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186CYS-192PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1738)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186GLU-189LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-108.4955)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186LYS-191VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3425)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186LYS-191VAL-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.0621)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186TYR-273GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=5.5979)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186VAL-208PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7994)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186VAL-223LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2571)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='187LYS-193THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2531)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='187LYS-193THR-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.4040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='188LYS-225GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-4.5857)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189THR-199LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=0.6471)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189THR-205PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6440)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189THR-207GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-15.3785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189TYR-232ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='190ARG-235LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.7564)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='190LYS-193GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-108.0676)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='190PHE-199LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='191LEU-219TRP-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.5462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='191TRP-229TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='192GLN-197VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3638)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='192ILE-242LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2718)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='192SER-269ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-9.2393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='193HIE-248MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4234)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='193HIE-301MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.8767)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194ASP-269ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-118.2317)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194ILE-205LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3961)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-198PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.7829)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-201LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-217PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1630)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-233ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0722)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-237ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9392)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-241TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.1160)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195ASP-241TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=6.8874)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195LEU-205PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5231)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195LEU-237ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195LEU-269ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.6147)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195PRO-198PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.8618)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-218GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=11.2963)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-221MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3515)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-249ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.2533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-249ILE-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.8004)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='197TYR-201LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1609)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='197TYR-252PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0018)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='197TYR-284LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4244)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198ASN-201LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1975)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-205PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7666)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-217PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-284LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6451)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-287LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0402)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='199LYS-207GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-107.9649)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='200TRP-204ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-2.5025)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='201LEU-284LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4230)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='201SER-209ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.6429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='202TYR-212ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='202TYR-241TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7451)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='203VAL-291ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4721)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205LEU-212ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5480)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205MET-223ASP-2', method='CCSDBF12', mode='CP', basis='adz', value=-5.2607)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205MET-224MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205THR-209LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4591)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='206ASP-210TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-26.6862)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='206VAL-231TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7083)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='207PRO-216VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='208ALA-214PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7439)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='209TYR-214PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5103)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='210GLU-213LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-109.0352)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='210TYR-216ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='210TYR-286TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.2353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='211ASP-214LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-113.9226)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='211PRO-245ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='212ALA-221GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.9747)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='212ILE-243LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.4762)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='212PRO-215ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='214ILE-217PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='215ALA-282PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2165)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='217PHE-234TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.6273)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='217PHE-247ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6365)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='217PHE-249TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.6434)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='218ALA-249TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.6994)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='218ALA-258TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219SER-229TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.6549)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-222TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9673)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-222TYR-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.1283)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-272ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5364)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-286TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7417)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-288LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=0.2061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='220ALA-256THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4934)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='220ALA-286TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3289)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-226LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.7340)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-230LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-111.0790)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-231TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=8.2206)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-262SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-17.5128)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-263SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-17.9626)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-265GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=82.0283)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='222ALA-249ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2944)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223ASP-286TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=5.6575)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223ASP-288LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.1489)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223ASP-289SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-18.8213)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223LEU-227ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=1.6584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='224MET-229PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.8001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='224MET-229PHE-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.8993)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='225ASN-228ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.2376)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='225TRP-228VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='225TRP-252GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.5944)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-233LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.8838)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-247VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7221)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-294TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.7128)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-294TYR-2', method='CCSDBF12', mode='CP', basis='adz', value=-0.9775)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LYS-262SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-17.0627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='227HIE-255SER-1', method='CCSDBF12', mode='CP', basis='adz', value=1.0341)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='227HIE-256LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='227HIE-289SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3382)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='228ARG-232GLU-2', method='CCSDBF12', mode='CP', basis='adz', value=-91.4283)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='228VAL-254THR-1', method='CCSDBF12', mode='CP', basis='adz', value=0.0978)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='232PRO-290LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234ASN-237ASN-1', method='CCSDBF12', mode='CP', basis='adz', value=0.0796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-260LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-262VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1970)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-286TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.2864)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-286TRP-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.7714)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='235VAL-294ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236ILE-258LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1594)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236ILE-260ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5099)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236PHE-262VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1725)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236PHE-279ILE-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.2655)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236PHE-282GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6308)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237ILE-267ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0368)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237ILE-269ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9159)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237TRP-246PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.1906)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237TRP-249ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9586)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237TRP-263ASP-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5803)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='238MET-247PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4903)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='238MET-255TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.5081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='239ASP-244THR-1', method='CCSDBF12', mode='CP', basis='adz', value=-3.2243)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='239ASP-271PRO-1', method='CCSDBF12', mode='CP', basis='adz', value=-11.6279)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='240ASP-270SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-17.3952)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='240PRO-268LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='241ARG-272GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-91.0417)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='243LEU-269HIE-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0579)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='244SER-294TYR-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0017)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='245ILE-250ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4280)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='245PRO-248GLU-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.5477)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='248MET-298ARG-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3997)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-269MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3942)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-276ILE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.1082)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-297PHE-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.9834)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-300LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.4011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='250ILE-255TRP-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.3258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='250ILE-255TRP-2', method='CCSDBF12', mode='CP', basis='adz', value=-1.1757)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='251LEU-269MET-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7829)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='252PRO-258ALA-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.0326)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='253ALA-261THR-1', method='CCSDBF12', mode='CP', basis='adz', value=1.3698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='253ALA-302SER-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.6448)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='255TRP-261VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-1.0692)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='258LEU-261VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.2429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='261VAL-266VAL-1', method='CCSDBF12', mode='CP', basis='adz', value=0.0490)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='264ILE-271LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3420)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='270SER-283LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5607)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='273PRO-283LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.7271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='274ILE-279LYS-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.3512)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='275ASN-278LEU-1', method='CCSDBF12', mode='CP', basis='adz', value=-0.5058)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-005ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-61.6012)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-013ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=63.5212)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-015GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-80.6253)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-159VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9097)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ASN-026VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ASN-030MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.9776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ASN-097GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-16.6485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001HIE-099GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5168)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LEU-071LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7168)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LEU-154LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5701)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LEU-190THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5089)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LYS-027ASN-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=20.6191)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LYS-027THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7355)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LYS-027THR-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=1.3791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-005GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.2553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-027VAL-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=2.8958)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-031VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=2.4252)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-047GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.0227)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001PRO-046ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.9964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001SER-030GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.1250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ALA-101ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7817)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ARG-006GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-90.5483)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ARG-020PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.1956)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ARG-046LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.2160)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ASN-022GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-21.0611)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ASN-026ASP-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-8.2295)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ASP-145HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-6.5464)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-005GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.7067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-006GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0176)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-153PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-163LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-006GLU-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9117)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-007ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7436)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-035GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-110.3833)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-075ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-22.5604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-080ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8901)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-082TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-8.3826)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002MET-031TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8506)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002MET-050ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9376)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002TRP-012VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6943)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002TRP-138SER-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.6224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002TRP-139LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6325)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-009TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5324)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-042PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9286)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-042PHE-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5595)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-043HIE-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.1152)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-046SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3547)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ALA-007THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9443)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003GLU-006GLN-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=4.5446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ILE-062ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.1887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ILE-065SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.2649)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ILE-067TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4273)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003LEU-033LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6631)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003LEU-054LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6436)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003LYS-055LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4036)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003PRO-025ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1610)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003SER-096ASN-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.1380)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003THR-181VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0571)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003THR-182GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.4201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TRP-163PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.8545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TRP-167GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TRP-167GLN-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.3502)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-028VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2402)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-028VAL-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-030GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.5448)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-054VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-056ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5900)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-073CYS-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.8255)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-074SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6503)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-096HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.7325)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-009TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2713)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-012GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.6524)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-036PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2591)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-064TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9425)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-081THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4697)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-083PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6346)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-118ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6721)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-121TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-024THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-15.2472)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-057ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-057ILE-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.0014)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-095TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4765)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-095TYR-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.9260)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ASN-009TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.5775)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ASP-043THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-16.3040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ASP-194ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-102.4908)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004GLN-007ASN-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.4771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004GLN-056GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-7.0416)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004GLU-039THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-16.1533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-010TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-031TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-032HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0598)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-040GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.7353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-179LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-180LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.1739)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-180LEU-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9235)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-183LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5066)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LYS-030ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.1928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LYS-031ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8300)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LYS-323PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-116VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0388)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-135LEU-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.7921)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-158LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-160PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6773)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-007LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-009TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.4171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-026TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.4203)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-029PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.1776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-068VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6089)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-074ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-094LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1685)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-096TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.3811)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004SER-027VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6016)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004SER-030MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-078LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-132LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-12.8052)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-163LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3819)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-164GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-15.6197)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TRP-014ARG-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4757)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TRP-016LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.3582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TYR-075PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3465)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TYR-105LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3194)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004VAL-053LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.1714)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ALA-019PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5973)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ARG-012GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-106.6433)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ARG-071GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-95.6187)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ARG-158LEU-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.1250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ASP-103GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-12.4100)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ASP-128ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-100.6319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ILE-054SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1865)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ILE-234TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9104)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ILE-277LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3717)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-010TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9350)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-011PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.1934)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-015LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.8937)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-023GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8127)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-025ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4712)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-025LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5664)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-030ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.1562)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-030LEU-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8910)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-032MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7229)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-037ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6170)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-068ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7152)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-077LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4801)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-083HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-106TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.8071)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-191TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-022VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-031TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-037PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4846)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-043TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.1187)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-049LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9454)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-050TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.7040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-155SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7012)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-162GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9749)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-163LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4029)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PRO-196ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1138)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005SER-028VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5894)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005TYR-166TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.0179)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005TYR-168VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-008GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4247)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-023LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4396)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-035PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3457)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-037ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3605)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-039SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.1827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ALA-078GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ARG-090TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.7637)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ASP-010THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=6.1603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ASP-116VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006GLU-010TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.6112)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-108PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6967)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-126VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-319TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5296)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-323PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9937)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-018ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-6.5963)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-039THR-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-050VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7197)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-053LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8985)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-061PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.9792)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-163LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7470)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006THR-097VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006TRP-026TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3368)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006TRP-038VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9488)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006TRP-040LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9546)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-020VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7736)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-023MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-024ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.7084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-026LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-038ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.2495)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-053LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-055GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.1647)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-175PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.6888)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ALA-011ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ALA-021PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ALA-049VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.2989)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ARG-011GLU-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-102.6088)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ARG-062TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9855)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ARG-063PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.6711)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASN-109GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-18.9424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASP-011GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=7.2238)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASP-119SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.6277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASP-131ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-110.8756)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007GLU-033LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.5603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007GLU-033LYS-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-100.0143)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-015LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8963)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-030LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3751)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-030LEU-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4767)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-038TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6457)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-042LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.0961)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-097VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6577)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-017ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7780)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-026VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.2525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-033LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-090TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2524)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-096TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0851)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-168HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6312)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LYS-011ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-112.9446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LYS-093SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8397)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LYS-099THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6711)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-019VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6813)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-021PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.6533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-021PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5561)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-022VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3085)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-024VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.1154)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-035PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2039)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-084LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-091ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5568)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-111PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-157ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6944)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-160CYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8278)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007SER-010ARG-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-8.4013)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007SER-100ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.4832)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007THR-031LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.1970)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007TYR-053TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-022SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9438)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-026GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4667)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-034ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5623)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-038VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6960)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-040THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4244)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-154GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6475)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-154GLN-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0852)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-191TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1144)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-248MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6452)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ALA-034ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3299)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ALA-035GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.8492)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ALA-038MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6107)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ARG-115SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-14.7952)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASN-030LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-25.0040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASP-018ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.6888)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASP-018ARG-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-111.0212)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASP-058ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3521)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-012HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7129)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-015TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1065)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-032MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5832)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-033PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-034LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.2172)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-035TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2478)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-041TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-058PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.2572)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-062TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LEU-017ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5727)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LEU-088TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-043THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-14.2830)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-065VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5466)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-068GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.0290)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-068GLU-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-106.2134)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008MET-158LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.2551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-042LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8123)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-044ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-097VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.7485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-099HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.1730)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-101HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.6028)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PRO-183ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-13.0254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008SER-032SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.2583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008SER-093TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0840)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TRP-035PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.1689)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TRP-250PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.9528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TRP-252GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-19.7930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TYR-052TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.7184)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-039TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-041VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3516)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-066LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.1725)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-072SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.2799)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-080PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1870)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ALA-084LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5176)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ALA-091ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.1930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-023GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-95.7716)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-031TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-11.4915)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-092LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.3281)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-103GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=5.2320)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-106ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-89.3652)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-128ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.4680)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-128ARG-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=59.8707)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ASN-024ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=9.3021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ASP-021LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.5136)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009GLN-068ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9605)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009GLN-072ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.4134)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-013TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0231)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-038LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-052PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-092LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8431)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-092LEU-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5616)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-105LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7099)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-108PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9182)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-155ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-013VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6851)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-033LEU-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5000)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-039ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-041VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6920)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-041VAL-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3783)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-055SER-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7700)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-058ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7793)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LYS-137LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.4230)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LYS-171VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009PRO-069TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9914)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TRP-111ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-10.9426)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-016GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=4.4131)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-029THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-033ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.4201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-035SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2754)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-050PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.2135)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-053TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.4899)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-111ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-22.7079)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-121TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.6195)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-158ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.1233)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-301MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6372)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-303TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.4122)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-021PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.8436)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-025ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4578)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-035ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6094)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-084ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3914)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-086TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3750)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ARG-039ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-100.5961)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ARG-042ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-90.5326)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ARG-092LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9723)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASN-014GLN-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.6677)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASN-023GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-23.1152)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASN-088TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.6458)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASP-090TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-24.9111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLN-022MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9287)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLN-102TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.6905)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLU-014LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-67.8902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLU-032SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=10.2829)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010HIE-015TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9680)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010HIE-023ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9121)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010LEU-091ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9591)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010LEU-096TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8482)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010LEU-132ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8726)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010PHE-028ILE-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4760)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-022LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.1960)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-025VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1781)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-032ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4327)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-032PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.6869)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-034VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9836)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-052TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2195)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-058PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6979)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-081VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.4068)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-081VAL-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.4259)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-017GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=3.6509)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-049PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.2794)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-052TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.9354)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-163TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-027ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-028LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-034TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8716)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-040PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.7168)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-044ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3439)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ALA-016GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8624)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ASP-091ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-18.0237)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011CYS-042VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6631)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011CYS-042VAL-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7751)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011GLU-062TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=3.1444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011GLU-100THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-8.6847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011HIE-015ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=2.2187)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011HIE-304SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=1.5075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011HIE-306ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.7673)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-017LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3450)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-018ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5631)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-024ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6128)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-024ILE-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4532)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-028LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.2161)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-037LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.0835)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-038TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0206)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-042LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5829)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-045VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5136)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-062HIE-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8504)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-069TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9018)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-071GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0850)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-102TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6852)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-102TYR-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6130)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011PHE-044TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0543)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011PRO-020ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3529)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011SER-223GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-18.4565)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011THR-017ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011THR-166GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.3377)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011THR-166GLU-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-16.4648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-018ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-7.8352)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-023ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-7.7565)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-051GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-10.3346)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-102GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.6967)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-169ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2711)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-144PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0634)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-153LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4647)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-153LYS-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6674)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-155ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.1603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-055PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5996)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-059PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-108PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-139ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5944)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASN-048PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3704)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASP-024LYS-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-77.3687)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASP-026TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-7.3279)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASP-069TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=3.7296)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLN-034GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-6.7372)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLN-044TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2788)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLN-048TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6560)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-017GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9317)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-019THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-17.0756)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-068HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=12.4221)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-070TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.2059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012HIE-015ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3591)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012HIE-033LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7861)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-016THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6872)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-018LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4479)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-028LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.2152)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-044ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9293)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-046LYS-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.0340)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-046VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4293)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-024VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5336)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-027PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2289)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-033LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.2179)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-035TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-039ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7220)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-047ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4210)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-057LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4578)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-062HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-064LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-065LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6986)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-070MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7758)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-074VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.1440)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-083ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1235)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-085ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7843)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-088TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5619)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-026PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.7410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-040PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4276)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-116PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-163ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6989)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-166CYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0797)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012SER-138SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.7315)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012SER-166PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6100)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012TYR-087PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.0591)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-016LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-023LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3344)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-088PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0307)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-114PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-146PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9164)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ALA-096TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.3556)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ASN-149ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-7.3480)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ASP-016GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=63.1217)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ASP-023ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-117.6157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-039ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-91.5087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-052ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6859)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-056GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-22.1491)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-065LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.3662)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-069ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-115.5472)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013HIE-032ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013HIE-095HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.4665)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013HIE-121TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-10.5030)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ILE-017LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ILE-105ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-017ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.2766)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-063ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-065PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.7939)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-066ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4977)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-069LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6820)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-077LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.2503)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-082VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5702)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-084ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-036VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7691)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-060TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.1318)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-062LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-063PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6126)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-083ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9767)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-085ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PRO-032VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.0946)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PRO-034GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PRO-129THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9881)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013SER-047TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3381)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013THR-164GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.9516)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013TYR-075LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.7871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013TYR-075LEU-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4592)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-016PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6188)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-066LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7862)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-154ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-154ASN-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1354)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ALA-055LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5240)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ARG-083THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=2.6219)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASN-027ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASN-061LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-24.5985)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASN-137TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.3259)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASP-017ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-80.8654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLN-093VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4096)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLU-036LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-121.5253)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLU-069ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.6203)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLU-164TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-26.4035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014HIE-043TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4137)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-025TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7234)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-027ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3442)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-081PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1392)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-085ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4200)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-088MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9032)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-061GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4734)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-070TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.7143)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-163ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6144)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-174PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9092)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LYS-023GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-125.1651)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014SER-017GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-15.6381)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014SER-084GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.5712)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-019GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.2800)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-021PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-022LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4624)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-022LYS-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.8191)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-082PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.6650)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014VAL-091ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4388)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ARG-020ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-99.8341)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ARG-164ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5645)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-019THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.8806)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-048GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-6.9741)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-069ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.0351)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-149PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015CYS-057LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1293)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015GLU-019LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-106.6087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-019PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4411)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-023LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4052)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-030LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8763)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-034LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4156)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-035ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6997)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-136HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-035TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8852)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-038LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4910)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-080PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6173)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-084TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2207)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-102SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.3242)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-047TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5661)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-047TYR-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-13.2617)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-220ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-107.7162)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-223GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.3442)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015MET-023LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9025)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015MET-023LEU-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8833)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015PHE-039ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8345)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015PHE-044LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4450)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015SER-018THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.1398)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015SER-037LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5559)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-019ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-021MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9022)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-060HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-8.6090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-061GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.3103)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015TRP-025THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1121)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015TRP-096TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.7110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015TYR-034ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.8399)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015VAL-060TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9206)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ARG-047PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.2449)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLN-048ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLN-098LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4089)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLN-101GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.2086)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLU-035TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.8123)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ILE-021VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ILE-145LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ILE-219PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7946)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-036LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.2441)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-046ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.2764)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-062LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.1857)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-065LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5849)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-072PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4229)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-082SER-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.3991)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-137ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6527)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-141MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LYS-085GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-106.0296)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-034VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.7216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-036VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6487)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-132ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8493)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-176PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.5650)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-192LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.0149)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016SER-031ASN-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.1518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016THR-022MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1548)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016TYR-079ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5344)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-033THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3092)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-055PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7913)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-059PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3832)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-084ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4085)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ARG-056HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-8.5685)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASN-021LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-19.3978)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASN-029ASN-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-6.5274)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASP-049ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-77.0157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASP-060HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-7.6841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLN-024ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-7.9574)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLN-093VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.3095)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLN-094ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-24.9612)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLU-036TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.4425)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLU-072PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.7505)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017HIE-033ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-19.9589)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017HIE-035TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.6852)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-021LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2173)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-028LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-028LEU-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-030PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8434)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-055HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.7959)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-149PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.4201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-050ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4046)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-056PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5759)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-066LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.3018)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-083ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017MET-020LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3564)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-022SER-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.0508)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-025TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6158)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-077ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-7.4023)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-081PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.3433)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-084LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3982)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017THR-078GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-14.3629)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017THR-307TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6788)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017VAL-049LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6638)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ALA-023VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ALA-026GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.8497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ALA-027VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3765)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ARG-057THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ASN-227ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0209)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ASP-032THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-19.5679)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ASP-034ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.1401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018CYS-132HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.7663)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018GLU-074ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9506)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-022GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-052VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-055ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3597)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-055PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0252)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018LEU-039ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=1.6294)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018LYS-024TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.3936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-060HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6094)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-085GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-086VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1547)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-139LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7992)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018SER-024LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.2862)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018SER-040GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-17.6819)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018THR-035ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4934)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018VAL-034ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6682)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018VAL-164TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018VAL-166ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7709)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ALA-055HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4650)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ALA-058TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2595)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ARG-027ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=60.1523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ASN-053VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9927)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019GLN-026GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019GLU-022LYS-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019GLU-025THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-16.9733)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ILE-051VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6690)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-037ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5823)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-041VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8738)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-061ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6143)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-062LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8339)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-062LEU-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9438)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LYS-027VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6047)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LYS-031HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5210)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LYS-071GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-116.9915)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019PHE-049LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019SER-023ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.0165)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019SER-023ARG-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.9606)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019SER-026ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-14.2384)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019THR-022MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2657)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019THR-035GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9287)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019THR-035GLU-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.7476)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019TYR-050TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.4593)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-027ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6997)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-058VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.0924)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-075LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-081LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-137ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.2998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-138VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.0268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-138VAL-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4626)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ASN-039LYS-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-25.2928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ASN-040LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-24.0611)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ASP-082LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-79.7796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020GLN-036TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.7742)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020GLN-059ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.0967)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020HIE-062ASP-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=10.4161)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020HIE-068LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.1908)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-023VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3503)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-032THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6442)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-082ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-309ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3489)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LEU-024VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9161)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LEU-038ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.2969)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LEU-042VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=1.0769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LYS-040GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-121.8496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PHE-135PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.1740)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PHE-149LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0562)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-023ARG-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=1.0175)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-177PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9852)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-178LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8237)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-181ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.1580)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020SER-058VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.0665)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020SER-091ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5548)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020VAL-029TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8527)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ALA-039TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7704)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ALA-057VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2849)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ALA-100ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1134)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ARG-033THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ARG-035GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.3774)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ARG-035GLU-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-91.5885)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021GLN-024LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-22.5592)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021GLN-024LYS-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3034)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021GLN-057TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.8713)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021HIE-061PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.0502)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-031HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-036VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6002)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-038VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1493)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-041PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4203)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-077LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.0549)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-088ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7620)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021LYS-032TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-11.3611)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021LYS-039ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7417)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021MET-058TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.6442)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021MET-062GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021MET-069ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1751)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-025GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.0743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-038VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6203)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-054ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8183)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-060PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.8175)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-072PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.6456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-072THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.7000)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-076VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1609)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-079ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0415)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-082PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.6011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-097LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5447)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-097LEU-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-113ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.0761)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-131VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9521)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-251HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-260ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0638)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021SER-142ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.8157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021THR-148GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.1234)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021THR-150LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8350)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021TYR-088PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.3353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ARG-072GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-105.9141)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ARG-073GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-87.9461)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-028GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=2.4912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-046MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.8087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-055ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=8.6609)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-058GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.7692)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-147TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.3213)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ILE-072HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0556)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ILE-074ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=1.6109)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-057THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8309)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-058PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2461)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-062ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7231)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-065LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5966)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-081LYS-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7844)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LYS-086ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022MET-041VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6801)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-027ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0550)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-031ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4389)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-039TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.7984)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-040ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4668)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-041PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6747)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-064VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9744)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-069VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1568)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-069VAL-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5124)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-099ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8512)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-166ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-168TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.5821)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022SER-121LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6872)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-026THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6362)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-039TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.0392)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-040TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.2916)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-043ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9369)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-055LEU-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9849)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-059VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2024)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022VAL-067LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4976)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022VAL-079TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8606)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022VAL-079TYR-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1146)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ASP-027ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-105.9022)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ASP-042ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-120.6635)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ASP-057ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-115.2396)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLN-177PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.8761)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLN-217THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-6.1183)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLU-028LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.1732)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLU-046LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-110.3280)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ILE-060PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5891)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-035PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9184)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-035PHE-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8736)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-036ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9941)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-055ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4602)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-097LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5721)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-029GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-80.1570)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-029GLU-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.3156)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-064TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-7.5118)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-064TYR-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3673)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023MET-038ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9284)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023SER-051ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=1.7493)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023THR-085ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3318)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023TYR-026LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7477)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023TYR-031TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.3848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023VAL-041ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.1926)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023VAL-055LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ALA-034ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ARG-073ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-16.2131)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ARG-076GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-109.0327)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-027ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-24.6762)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-027LEU-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.2557)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-029ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7231)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-034TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.0294)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-056PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9244)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-058TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.5460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASP-065HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-26.4288)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024CYS-100ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.5403)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-040HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-24.9570)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-041LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9721)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-050ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.4449)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-054ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-105.0488)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ILE-055TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8798)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-028GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6034)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-028GLU-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.3937)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-029GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9953)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-031LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0740)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-032VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5158)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-054VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5765)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-260ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2076)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-261ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2267)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LYS-057TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0713)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LYS-069TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.0469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LYS-069TYR-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-9.2928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-089LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.1107)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-089THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4194)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-099TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.9911)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-100SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-130LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4062)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024SER-038THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=3.9354)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024THR-041GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.8487)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-032HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1588)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-049ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5701)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-054PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8963)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-079PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.0852)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-142VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-143GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ALA-035TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ALA-037ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7156)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ASN-181ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-7.3468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ASN-183THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.7143)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-029LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2091)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-036THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=1.0810)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-039TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.0888)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-260ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-274ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9944)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-028VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5487)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-036VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5896)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-056LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-059ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9876)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-084ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.0340)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-084ILE-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4019)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-090ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5300)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-091VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4474)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-055VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4814)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-060PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8235)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-075ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7519)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-075ILE-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025SER-035ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.2996)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025SER-075ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=4.2225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025SER-100ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3092)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025THR-045THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.4737)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025THR-100TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025THR-103LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-17.0610)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-038MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7206)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-135ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1064)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-144LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9117)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-146PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.2508)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-152GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-21.6225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TYR-080ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.3988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TYR-081PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9358)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TYR-084LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-029TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8441)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-057VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6343)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-069ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7864)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-083GLU-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5623)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-185ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASN-054ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-7.3630)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASN-055ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1672)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASN-058GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-15.6054)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASP-042PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1976)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASP-077PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.4932)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLN-065HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8417)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLN-065HIE-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9650)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLU-042HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=13.4979)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLU-057TYR-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-24.4445)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLU-059ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-98.9758)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ILE-037TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0999)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ILE-078ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3763)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-037PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-039ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8243)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-040GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9478)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-041VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1162)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-135ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7892)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-029PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.4351)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-099ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7229)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-103HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.8972)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-168TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3943)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-030TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.8729)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-036PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.7195)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-118ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-217THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.1454)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026THR-031LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026TYR-062ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026TYR-069TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.6487)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026VAL-041GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.3529)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026VAL-041GLU-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.1287)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ALA-074LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ALA-102ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3077)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ARG-049GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-96.5661)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ARG-055THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.2700)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ARG-094ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-97.2262)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ILE-039THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6233)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ILE-046PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ILE-075LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027LYS-089LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7546)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-030ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4472)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-057VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9873)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-069SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9975)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-071VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8952)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-078GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.4788)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PRO-032MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0148)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027SER-034ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6876)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027THR-036SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.4357)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-070TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.3933)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-085ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5139)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-086TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3515)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-088ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.0131)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-090THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4726)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ALA-038VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.2002)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ALA-041VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ARG-031GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-17.3519)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028GLU-072HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-24.4161)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028GLU-097LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-114.1322)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-036LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5202)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-091VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5295)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-106VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.7268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-151VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8674)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-037VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7600)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-055LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.2400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-058ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8849)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-059ARG-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-061GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0586)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-133PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6777)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LYS-067TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.5153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LYS-317ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-20.8910)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028MET-031ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.9418)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028MET-037ARG-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028MET-040HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.4006)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028PRO-058LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7816)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028PRO-111LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0623)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028SER-055THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.5743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028SER-056GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.7274)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-031THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=2.2747)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-036MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=1.5520)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-038VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6411)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-058PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.2883)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-085GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-086ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.2593)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-105PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7341)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-128PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.2768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-170LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.0307)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ALA-274ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6881)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ASN-034LYS-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-26.9539)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ASN-179SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.2138)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ASP-070ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=82.1536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029GLN-033ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=5.1677)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029GLU-045LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.3236)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029GLU-055SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-18.5523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-034VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-036PHE-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.0193)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-040GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7318)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-045GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2029)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-095TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4120)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LYS-035GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.6001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-094LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9511)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-101TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4345)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-103HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4088)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-168TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.0645)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-177ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1489)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PRO-085GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-10.5385)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029THR-121TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5351)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029THR-121TYR-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.3953)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-302SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9625)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-305ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.5811)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-308ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-8.7064)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-315PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9253)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TYR-049GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.2561)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029VAL-036VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5346)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029VAL-054LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3045)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029VAL-087LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.0560)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ALA-274ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8696)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ASP-320ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-101.1412)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLN-034TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.7068)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLN-034TRP-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.2096)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLN-036MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.0018)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-033GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-15.9416)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-034ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=67.5430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-038PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1549)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-042PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9037)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-049PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.3058)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-061LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-115.0785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ILE-034LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ILE-055ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=1.2248)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ILE-093TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1025)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LEU-034LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6210)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-078TYR-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-7.0584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-083GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-118.9998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-085GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.6209)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-169THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-16.1444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-042LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-044ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-061GLU-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2835)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-151ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.5439)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PRO-057MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.2515)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030SER-109GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-17.5787)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030THR-121LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.9224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-033THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-036PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.1020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-042GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-20.4362)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-046LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.7675)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-073PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-079LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4859)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-103PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.4046)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-171THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7823)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-176SER-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.6594)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-212GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-17.5858)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-213GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.7631)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-216SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1718)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-217THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030VAL-033VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.0931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030VAL-044LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5594)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030VAL-050ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8436)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ALA-088VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3615)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ASP-034HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=20.4192)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-035LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9506)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-037SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.7408)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-109LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-125LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9594)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-128GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-15.2472)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ILE-034ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5884)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ILE-097TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ILE-246ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.1899)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-091LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4080)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-125LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5896)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-168LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7032)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-213GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.5683)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-060THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7969)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-061ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1089)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-062HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2609)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-076ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5605)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-092TRP-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.6118)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-095TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.3098)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PRO-097VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4184)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031THR-085GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-16.9650)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031THR-128PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-060ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-23.1048)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-164VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.8480)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-168GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.3951)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-168GLN-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.2006)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-171ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2980)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TYR-037PHE-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.8058)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TYR-048HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.2138)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TYR-051GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.4512)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-056PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8790)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-068LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9969)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-071VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-073VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6155)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-077ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032ASP-040HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.6286)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLN-116ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-21.0760)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLU-035ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-114.7448)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLU-169THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.3419)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLU-169THR-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-16.8417)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032ILE-036GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7881)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032ILE-065LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.7566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-080GLU-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-107.5043)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-083LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9158)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-091LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.6756)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-091LEU-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032PHE-058ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.2114)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032PHE-081VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8724)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032PHE-095LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9626)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032SER-057GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-15.9885)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032THR-093LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7325)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032THR-094LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9286)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032THR-128LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3861)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-062ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.7215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-073PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.9118)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-074VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9118)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-083ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-7.3998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-042ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.3866)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-052VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2385)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-056HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8548)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-068LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5102)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-080ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.2619)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-100VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3122)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ARG-189PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.2294)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ARG-191LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8042)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ARG-191LEU-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.2470)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ASP-276SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-17.3149)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ASP-279LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-122.0225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ASP-279LYS-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.6824)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033CYS-047TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.2129)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033GLN-092ASN-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-7.7559)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033GLU-036ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-116.5871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033HIE-060MET-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.2757)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033HIE-062THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=4.7255)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ILE-037ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9344)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ILE-061VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6745)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-053VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7762)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-059ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8844)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-061PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9985)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-089ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7461)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033PHE-058PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0563)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033THR-100GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.0010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-062HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.8712)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-091ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-7.9239)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-094ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6714)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-094ILE-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033VAL-048ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8555)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033VAL-055VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3524)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033VAL-091ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ALA-133LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9196)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ALA-152GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.0313)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ARG-060TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-15.7841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ARG-064LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.8530)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASN-076SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASN-078TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.1400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASP-037PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.8402)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASP-061ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-82.1114)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034HIE-057HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1246)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ILE-037TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4007)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LEU-038TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2158)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LEU-044TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4550)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-068GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-108.6034)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-070TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-070TRP-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0139)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-086TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5917)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-086TYR-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-6.8252)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-045TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.5185)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-058CYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.8658)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-062HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8685)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-069MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.1369)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-072LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9150)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-100VAL-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.3335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PRO-065ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8276)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PRO-075PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4055)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034SER-105LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5412)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TRP-037TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.8931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-136ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1891)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-143MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.9245)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-148VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5898)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-277TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.6387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-046LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4758)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-048PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6944)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-072VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-077LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3288)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-111LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9458)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ALA-065LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8554)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ALA-067ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.2243)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ARG-041THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-13.0955)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ARG-042VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8070)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ASN-172GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-10.4027)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ASN-174TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1680)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ASP-046ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-98.6110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035CYS-038CYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=2.5929)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035CYS-154THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.4208)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035GLU-189PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4105)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035HIE-059ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0630)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035HIE-059ARG-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.8818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035HIE-061ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.2592)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LEU-061PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LEU-085LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4984)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LYS-083TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.2844)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LYS-090GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.9295)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-047TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.3410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-062THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.7854)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-097LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3600)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-111PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.0666)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-128PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.4218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035THR-112LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.7820)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-045HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.2078)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-058PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.8635)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-064ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-157VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-161LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-16.1504)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ARG-042GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-109.5910)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ARG-162GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-18.6210)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036CYS-039CYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.2209)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLN-040HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.1110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLN-105LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5531)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-039ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-118.4776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-039LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-113.7516)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-045LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1591)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-053VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6162)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-056ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-81.4827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036HIE-063LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.7730)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ILE-040THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.7919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ILE-061ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7965)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ILE-063TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7168)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-039MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9609)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-041ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4367)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-046PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4433)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-046PHE-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6369)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-047TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9807)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-098ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6222)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036MET-049LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.1158)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036MET-054VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=3.0801)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036PHE-075SER-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.2018)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036PHE-113ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.1507)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036PHE-303TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6789)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036SER-069THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.1937)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036THR-090GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-19.0944)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036THR-104MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9531)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036THR-133PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5290)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036TRP-047PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0713)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036TRP-049PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9004)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036VAL-060TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4113)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036VAL-070TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.2202)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036VAL-086TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ALA-056ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4345)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ARG-152GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-118.8807)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASN-040THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=3.0990)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASN-067GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.9944)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASP-040ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-79.5110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASP-064TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-18.2707)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037HIE-050GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-23.9899)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-116PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7693)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-125LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8629)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-162PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6687)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-165VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037LYS-162PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9971)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037PHE-048HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.7314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037SER-043ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-6.2031)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037THR-053ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.6010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037THR-085LYS-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.7408)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-050ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.4709)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-053LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2465)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-055LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-14.6603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-055LYS-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8797)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-046THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0379)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-050LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.6615)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-066LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0695)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-068VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ASN-199LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ASN-202PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.0135)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038CYS-095PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2265)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038GLN-042ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-21.4986)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ILE-085ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6212)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ILE-094LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.0663)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-045PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8155)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-047TYR-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5310)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-054LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5573)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-109SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6762)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-109VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.1989)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LYS-047PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.1733)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038MET-041LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4908)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038MET-146PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.4016)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-042PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.0114)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-042VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9734)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-046ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.1632)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-049PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4284)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-061VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6869)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-061VAL-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-101PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0262)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PRO-108ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.8611)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038THR-053PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8341)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-063TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.3927)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-065PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.6780)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-068TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.1342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-073ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-078ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8711)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-081TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.6159)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-082ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3207)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-132ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1490)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TYR-060TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.6279)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-041VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.2437)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-072PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.7038)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-082PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8024)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-083ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.2260)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ALA-095PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.1933)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ARG-043ASN-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=5.0318)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASN-042ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-21.7285)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASN-081SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6817)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASN-083TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9567)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASP-057THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-17.0426)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039GLN-047ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-16.0989)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039HIE-057HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=8.8849)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-054LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0440)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-055TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0622)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-108ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8649)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-109CYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=2.1571)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039LYS-043HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039PRO-165PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.2158)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039PRO-166ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039PRO-199LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.2823)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039SER-054GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-17.4778)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039SER-067GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-18.8050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-046THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.0520)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-077LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3252)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-079LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8522)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-083VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3647)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-052SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.8431)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-064VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-066LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.8842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-066LEU-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.1242)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TYR-043ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.9220)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039VAL-083TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9653)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASN-073PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.8267)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASN-077TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.2558)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASN-090ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-10.3248)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASP-065THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=2.1754)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040GLU-045GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-18.6545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040HIE-103HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-9.8345)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040HIE-105LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ILE-054VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4471)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ILE-057LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6320)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040LEU-063TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0454)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040MET-085ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.5926)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040PHE-052TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.2891)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040PHE-116PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.1473)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040PHE-133PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.6101)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-044TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3470)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-048VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8167)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-162GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-186TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5505)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-270TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-052GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.2599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-055LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-121ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.2725)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-121ILE-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-122THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.3522)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-045TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.4797)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-055VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0297)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-076VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2142)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-079ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-082PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040VAL-063VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3892)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ALA-047TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.3526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ALA-081GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0064)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ALA-121ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ARG-051PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.5097)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ASP-084ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-92.6009)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041GLU-045LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-107.7788)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-058ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.0990)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-061PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-107PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4296)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-107PHE-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-146PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6263)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-155PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8836)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-162PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9293)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-170TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6009)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LYS-045GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4676)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LYS-107PHE-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.3145)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LYS-110SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-18.9576)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-047SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5731)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-054HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.3765)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-073ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6458)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-077LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8806)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-094LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-6.5507)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-094LYS-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.1830)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-104VAL-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.7541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041VAL-059LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7662)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041VAL-064LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.2319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ALA-082ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.2116)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ASP-045THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-19.3066)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-095PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.0979)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-101PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.2987)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-103PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-6.6234)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-121ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.8073)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ILE-049PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8748)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ILE-052PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5977)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ILE-056PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.8362)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-047ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4969)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-048ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0448)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-048VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8976)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-103HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7418)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-105LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5134)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LYS-049GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-123.4227)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-049PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2692)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-054PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9606)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-056SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0913)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-061LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6498)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-064LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2352)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-074LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.1269)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-077PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6397)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-085PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-087LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2117)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-088ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.5389)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-089ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1701)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-089MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.8312)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-092TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.6113)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-101VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042SER-058ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042SER-062ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=3.8604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042THR-052ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.4385)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042TRP-049ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-12.2673)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ALA-073PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5030)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ALA-077TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2649)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ASP-054HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-25.0893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ASP-058ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-119.2010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ASP-062TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.0424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043GLU-104ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.2132)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ILE-055LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.0089)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-050PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8086)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-055THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-071PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-114SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5285)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-161TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.0514)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043MET-048ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4579)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043MET-060VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043PHE-065PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6192)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043PHE-068TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9561)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043PHE-073PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2834)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043THR-059LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4951)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-048GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.5974)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-049THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1662)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-068LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.2076)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-185HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.5462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-186TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.3609)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043VAL-066LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3044)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043VAL-069VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6954)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ALA-052ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0543)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ASN-048THR-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.4665)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ASN-059THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.1065)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044GLN-061LYS-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-28.0846)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044GLU-084ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-94.9413)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044HIE-067HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.7414)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044HIE-073TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.5424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044HIE-086GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-25.1909)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ILE-101HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4641)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-079VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4260)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-101ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5368)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-272GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.0139)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-272GLN-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9683)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044MET-061VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6934)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044PHE-048LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1834)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044PHE-130VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.9732)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044PRO-053ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.6800)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044SER-093ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-14.1567)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044SER-118ARG-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-10.6616)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044THR-118TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2249)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TRP-048TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.5359)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TRP-085PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.8767)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TRP-147TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4062)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-048LYS-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-15.8625)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-059ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2091)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-077LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-109LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4156)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044VAL-174MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045ALA-054HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045ALA-071HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.1908)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045ASP-081GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=89.5538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045GLN-062LYS-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-24.2083)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045HIE-051GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-23.3536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045HIE-053ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.0890)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-049GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.1103)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-049TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.0626)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-054PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0702)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-055ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.7956)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-070PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0877)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-097LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LYS-048GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.5429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LYS-084GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-72.2548)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-057GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-7.5259)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-061VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4839)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-066PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.8201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-075LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-9.9774)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PRO-080VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PRO-100VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6307)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-048ALA-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6170)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-066VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4895)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-097SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-168LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-048ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9096)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-049ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0973)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-100VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8961)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-272GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.5936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TYR-053THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9914)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-050ASP-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-95.4573)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-092TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.9768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-182GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-76.8891)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-273GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-114.2725)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ASP-083ASP-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=55.5090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ILE-071GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ILE-074LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=10.0803)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046LEU-068ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046LEU-103PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0336)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-050LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.9119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-084LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.8305)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-088MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.7842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-107PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.6841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-119GLN-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-121LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6744)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-161TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.2165)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PRO-140ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4934)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PRO-141ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8652)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046SER-054PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.2431)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046SER-088ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.9706)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046THR-069ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.0132)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046VAL-094PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8903)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ARG-050GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-81.9902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ARG-059MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ASN-062LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ASN-276PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ILE-064LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4191)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047LEU-055LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3404)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047LYS-059ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-114.2208)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047PRO-164TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.8849)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047SER-065PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0478)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TRP-081GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-9.2291)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TRP-083TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9295)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-052PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1156)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-053ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=1.6261)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-055ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0704)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-058TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.0317)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-075ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.8879)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-077HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7918)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-111PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5784)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-136TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=2.7530)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ARG-060MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5971)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ASN-052ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.6576)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ASP-081THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-19.2615)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ASP-131LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-115.4104)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048GLN-070SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7857)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-052PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4345)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-091ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-6.1123)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-099HIE-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.8935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-174MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.6598)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-178ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-26.2362)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ILE-052ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0172)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ILE-272GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9770)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ILE-279ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0159)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-070PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-070PHE-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0916)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-074TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.7792)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-074TYR-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-077GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-141PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LYS-082ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8579)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LYS-098GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-110.3891)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048PHE-058PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.8091)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048PHE-101LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048PHE-105TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.7266)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048VAL-093THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.2317)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048VAL-095LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048VAL-099ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7563)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ALA-092TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2432)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ARG-167GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-20.7668)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049GLU-080ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-92.5342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ILE-059ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.3483)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ILE-070PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9945)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ILE-100VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6701)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LEU-054VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LEU-107PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6491)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LYS-121LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8838)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LYS-158ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-6.5267)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-056PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6065)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-057GLN-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.1735)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-091ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1445)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-093VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.7419)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PRO-052TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9899)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049THR-053LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049TYR-054PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3237)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049TYR-098GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=3.6361)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049TYR-102ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.3781)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-053THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6210)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-124GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7173)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-127LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2678)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-131VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ALA-081PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0404)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ARG-054THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-12.0759)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASN-083TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3079)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASP-053THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-18.5657)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASP-067PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.5464)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASP-092TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-23.8391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050GLN-055TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.6155)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050HIE-065PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.1657)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050HIE-087TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-10.3781)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ILE-053ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6454)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ILE-071PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8704)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ILE-079VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.1389)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050LYS-056GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-111.9297)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PHE-071PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4372)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PRO-053TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5395)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PRO-058PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.7596)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PRO-096TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.2964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050SER-066PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050THR-143THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.2768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050TRP-054GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-6.5287)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050VAL-054THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=1.6257)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051CYS-154LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-7.8761)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051CYS-156THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=1.8280)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLN-089GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.3584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLN-089GLU-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-24.5636)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLN-098TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.3855)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLU-056MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3944)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLU-056MET-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.2469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051HIE-277ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-23.7658)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051ILE-068LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1023)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-055ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.9082)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-080ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9365)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-096TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.8307)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-131LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0191)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-058VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4142)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-091ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.5658)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-091ARG-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.8372)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-175PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2104)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051THR-152PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-093VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5164)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-095LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6997)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-097ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-7.1847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-097ARG-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.3192)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-107PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.1274)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051VAL-071ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051VAL-104ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ASN-061ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-6.8451)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ASN-143THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=1.6619)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052GLN-069ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-10.0165)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052GLN-117PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1004)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ILE-056GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2347)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ILE-087VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.0964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ILE-100VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.2439)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-060LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5257)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-062PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5701)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-062PHE-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5307)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-070PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-141PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3798)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-152PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7340)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-056MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.9187)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-061CYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2878)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-071PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2835)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-073THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3303)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-075ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3437)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-111PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2836)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-141MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.3625)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-148ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-157ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3122)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PRO-109LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6880)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052SER-063PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1122)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052TYR-058PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.7067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052TYR-061ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-24.4607)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052TYR-116PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.8287)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052VAL-057SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3105)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ASN-063SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.3359)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ASN-131VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4082)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ASP-058TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8661)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-066LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.1515)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-069PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2371)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-075LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.2129)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-077LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7428)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053LEU-057PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0464)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053LEU-091ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7475)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053MET-140ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.9837)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053SER-089GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-19.3892)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-059LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4949)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-083ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-25.0559)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-092TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.4867)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-094LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9864)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-142ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3402)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-169MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.5951)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-057ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.2809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-068PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5306)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-074ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7898)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-117PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5896)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054ASN-069PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.5109)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054ASN-141ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=1.8915)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054GLU-057ARG-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-94.0002)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054GLU-058ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-117.7300)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054GLU-141GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-13.1790)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054ILE-074ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.2320)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-061LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9284)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-063PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4731)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-069VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4452)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-091LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9344)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-091LEU-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.3136)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054PHE-101ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7554)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054THR-057ASP-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=1.1304)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054VAL-091ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.2224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054VAL-097ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5194)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASN-058GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.2108)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASN-058TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.7688)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-069ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-117.7881)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-104LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-86.5642)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-105TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-10.4005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-185ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-112.0531)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055GLN-272GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=5.9030)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055GLU-121LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0972)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-059ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-061CYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8404)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-151THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0766)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-155ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=1.0678)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055LEU-060VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055PHE-139ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055PHE-141GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6618)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055PHE-141GLN-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.7959)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055SER-071PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6148)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055SER-152PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.8910)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055THR-072THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.3045)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055VAL-059ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6132)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ALA-061VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5554)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ALA-175PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8245)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ARG-061LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4336)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056HIE-287LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056HIE-287LEU-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3354)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ILE-059PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3677)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ILE-059PHE-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3303)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056LEU-069LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5068)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056LYS-160ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-109.7328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056MET-059MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056MET-181ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9607)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056PHE-062PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4137)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056PHE-129PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9102)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056PHE-152PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2673)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056SER-076LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056TYR-062TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.7158)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056TYR-064VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.2291)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056TYR-084ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9738)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057ARG-067VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5068)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057GLU-061ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-88.6737)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057MET-060MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-060LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-066ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3093)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-098VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6815)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-116PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2048)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-163ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2845)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PRO-063TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6245)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057TYR-091LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.7025)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057VAL-084ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.5323)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057VAL-084ASP-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.2915)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057VAL-181ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2097)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ARG-062LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9735)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ARG-141GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-10.1440)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ASP-279LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-108.8020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058GLN-067PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6781)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058GLN-067PHE-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058HIE-067GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6787)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058HIE-115GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.2351)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ILE-097TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.8787)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LEU-071VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9275)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LEU-084LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.1920)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LEU-094GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LYS-122VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.4026)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-062ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9737)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-062TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.5566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-070TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.9648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-081PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.3637)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-101ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.5166)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-131VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6162)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TRP-084SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.5150)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TRP-180SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1806)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-062GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-062GLN-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.5132)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-062LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-8.5737)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-066VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7852)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-068ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7567)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-077ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1670)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058VAL-085ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3285)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ARG-065MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5798)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ARG-067GLN-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-23.1683)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ASN-062LYS-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-27.3168)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ILE-068ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7881)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ILE-094LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6678)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LEU-117VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LEU-117VAL-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3443)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LEU-119GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6892)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LYS-063ASP-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-116.2749)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LYS-075TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-7.3774)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LYS-135ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.4599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-063ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.8030)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-118THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4146)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-120TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.8470)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-127ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9195)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059THR-088TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0736)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059VAL-084LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0253)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059VAL-136TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5358)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060ALA-081LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7487)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060ASP-165ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=77.7963)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-068PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-095PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0212)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-095PHE-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9778)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-098VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5498)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-120VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1906)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-152PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1354)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060MET-070GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.6124)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060THR-087LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-17.8893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060THR-176ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-12.7855)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060TYR-064LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2070)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060TYR-128PRO-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.7111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060VAL-063TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1915)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060VAL-157PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9290)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ALA-080ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.2494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ARG-083GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.6446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ARG-083GLU-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-91.6576)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ARG-084LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ASN-065ASN-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.8650)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ASP-065LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-6.5627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-080ARG-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-78.1305)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-088PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.0270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-142MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-8.0792)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-145LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.8289)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-064PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8689)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-086ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1918)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-089MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4557)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-091ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.1295)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-092TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-098LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8360)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-155ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.6834)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061LEU-065MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6293)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061LEU-079ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4619)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-068VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6798)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-086VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2259)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-086VAL-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7904)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-099ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.4286)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-117VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8002)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PRO-088PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061THR-081THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4184)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061THR-083GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-15.6658)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061TYR-066LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.2812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061VAL-064TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3997)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061VAL-066VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.1943)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061VAL-068ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0060)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ALA-070MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ASP-080ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-86.6821)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-110GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-6.6594)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-112PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-171PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=1.7499)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-173TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.6436)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-173TYR-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.7323)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-070GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-7.9173)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-072LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9688)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-073TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=3.9771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-076ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8073)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-067ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3750)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-069TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.2172)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-105TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5580)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-107PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LEU-075ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3946)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LEU-077ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7661)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LEU-079LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6018)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LYS-067PHE-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9198)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LYS-147GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.4672)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062PHE-120TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9057)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062PHE-128PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.1217)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062THR-099ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-9.7613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062THR-102HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3585)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TRP-073ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.8274)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TRP-164PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.2562)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TRP-166PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-077PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.3543)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-083GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-22.1835)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-084ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1684)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-093ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5701)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-095TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.3257)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063ASN-081THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.2936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063GLN-067ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=12.2858)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063GLN-136TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.5335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063GLN-165ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-9.8456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063ILE-077LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063LEU-068HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4999)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063LEU-108LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6630)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063LEU-140LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3025)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-090GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8231)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-090GLN-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0373)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-091ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9807)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-094VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0428)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063THR-092TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4870)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-081TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=1.2006)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-085MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.4823)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-098LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4281)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-136PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5692)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063VAL-067LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5733)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063VAL-154THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064GLU-111TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5817)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-072PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4532)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-084TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.0696)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-084TYR-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.1915)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-090TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064PHE-097PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3675)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064PHE-123THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0843)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064PHE-125TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.0579)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064SER-171PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=1.4551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064THR-116PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-068LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.2268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-078PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.5009)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-082VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-083LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-164PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.7204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064VAL-073ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.2319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064VAL-143GLN-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9044)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065ALA-070PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8012)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065ASN-110GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.4060)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065ASP-110GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.2933)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065GLN-088TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065LEU-077VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6739)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065LEU-080VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065MET-117PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.2331)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065PHE-095LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065PRO-101LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6427)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065PRO-111TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.9660)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065SER-068TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.4260)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065SER-108TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9653)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065THR-069ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065THR-082LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2503)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065TRP-146THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1088)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065TRP-154THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6629)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065TYR-090PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9822)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ALA-084ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ALA-136TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3032)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ARG-167GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-118.0379)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ASP-069ARG-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-93.2404)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066GLN-070ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.7298)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066HIE-069GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.6576)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ILE-146VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7259)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066LEU-073PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1185)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066LEU-138THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5713)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066PHE-075LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8388)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066PHE-109SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.2739)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066PRO-095TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.3499)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066TRP-109TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.7273)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066TRP-110PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9147)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066VAL-085ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.0728)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067ARG-077ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.1038)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067ASP-070ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.4167)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067GLN-115GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.8932)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067GLN-117PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.5735)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067GLU-139TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.9249)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067HIE-070HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.7477)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067HIE-086GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.4366)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067LEU-078LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7853)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067LEU-107LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7327)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067LEU-109VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5804)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067PRO-095TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.4998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067PRO-101ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6773)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067SER-073TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5025)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067THR-080TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0968)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067THR-082VAL-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9366)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067VAL-085ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=1.6273)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ARG-072THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-12.3776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068HIE-075LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-10.6052)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068HIE-080GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=1.5003)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068HIE-123ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-25.6078)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ILE-072LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.2728)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ILE-084TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.8913)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ILE-091LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.1456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068LEU-081VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5118)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068LEU-146PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1684)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068MET-131LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.1728)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-076LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.0026)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-076LEU-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-077ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5685)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-077VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8686)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-080LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9138)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-080VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0281)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-083LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-110LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8364)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068TYR-073ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9900)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068TYR-078ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.3094)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068TYR-082HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6590)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069ARG-075ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.0453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069ASN-119VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7547)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-076ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0239)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-076ILE-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-6.5195)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-078ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-116.9905)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-123ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=61.6408)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069HIE-075ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7630)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069HIE-078PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.0371)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069ILE-101ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.3621)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069PHE-078GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.8667)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069PHE-080TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.2407)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069PHE-166TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=1.6081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069THR-080LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-073TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.6600)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-086GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1686)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-086ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6575)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-114VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5146)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070ASN-080GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=7.4381)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070ASP-076THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-14.9519)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070GLU-073LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.0025)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070GLU-073LYS-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-92.5021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070MET-075ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0611)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070PHE-120TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.5722)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070SER-082VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8722)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070THR-120ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=5.4248)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070THR-124THR-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.5534)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070TRP-084VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0432)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070TRP-138LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.4271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070TRP-174PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.3201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071ASP-074LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.9774)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071LYS-195ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.2932)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-080ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9993)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-080LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-086ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5354)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-108ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0711)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-114SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3235)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071SER-082HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.5186)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-076LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2288)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-078GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.7535)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-099TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-6.2149)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-100SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.8624)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-125PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.1077)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-165ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.2915)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-166TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.1850)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-077ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-083ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5274)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-085ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3990)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-119VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.0055)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ARG-116ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-93.6868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ARG-118TYR-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.9928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ASN-075ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-18.3349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072HIE-093TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9508)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072HIE-095PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.0443)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-077PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3664)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-082HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.7670)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-116PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9697)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-116PHE-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072THR-175GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9221)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072TYR-076ARG-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072TYR-127ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4554)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072VAL-176PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7096)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ARG-076LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.3217)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ARG-119ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-102.5948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ARG-163ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4773)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ASP-135ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-110.7659)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ASP-193VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.4064)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073GLU-077ASN-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.2869)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073GLU-119SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-18.8033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ILE-128ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0609)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073LEU-120TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9530)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073PHE-077TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.5574)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073PHE-079LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073SER-090SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073SER-178SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3014)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073TRP-089TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.1863)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073VAL-111ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0829)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ALA-083TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8962)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-130TYR-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2908)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-135SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-135SER-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-12.3407)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-136GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.6306)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-147TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.7180)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-147TYR-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.8618)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074GLN-094ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.6638)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074GLU-096ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-61.4083)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LEU-079TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LEU-102PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3370)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LEU-107PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.3519)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LYS-127ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6690)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074PHE-080LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.2548)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074PHE-083HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.7392)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074SER-091PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6981)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074SER-111GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-20.3418)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074VAL-080TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.3594)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074VAL-083ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8587)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074VAL-190LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4359)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075GLU-079GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-12.5204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075GLU-079GLU-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=75.9900)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075ILE-080ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075ILE-112LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075LEU-094ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5970)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075LEU-111LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3388)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075LEU-111LEU-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3819)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075PHE-093PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6226)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075PHE-182ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.1644)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075PHE-184PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2300)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075SER-078TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4718)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075SER-111ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-16.8205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075TRP-176ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.4095)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-079GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-96.5976)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-120TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.6233)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-208TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6778)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-208TYR-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.9028)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-084LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-089TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-25.4383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-091PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3670)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-188GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-20.3091)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076GLU-170LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.7851)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ILE-094ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3789)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076LEU-086MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.1788)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076LEU-117ILE-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.0711)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076LEU-123THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5213)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076PRO-111TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076PRO-112LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.0642)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076SER-082PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4540)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076THR-090SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.2574)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-125ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.2941)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-125ILE-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2709)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-136TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.7836)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-139ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.0809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-143TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.9970)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ALA-096ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1212)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ALA-138ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4540)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ALA-138ARG-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.1842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ASP-080ARG-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-85.2117)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077HIE-111LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9980)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-102PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9200)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-112ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8266)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-125VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1182)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-128TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0543)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-128TYR-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4674)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077LEU-093VAL-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.1298)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077LYS-178VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.5431)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077LYS-186ASN-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-19.1733)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-089PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.4251)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-093ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.0853)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-097LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5026)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-116PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6685)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-160VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-162PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2593)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-201ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-6.3100)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-205GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-8.6242)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078ALA-126VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5598)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078ASP-157LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-104.1603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLN-085LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4092)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLN-088GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-20.5601)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLU-099THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.1550)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLU-127GLN-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-23.2617)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078HIE-081PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5727)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078LEU-108VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.2148)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-082VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1220)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-096ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9540)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-104TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.3674)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-107ALA-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9407)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-108LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0651)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-179LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9985)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-215ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9991)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-218LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8168)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-218LEU-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.2201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PRO-115PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PRO-186ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.5068)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078SER-184PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.6346)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078TYR-082PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.8112)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ARG-083ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-97.8045)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ARG-182ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-110.4362)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ASP-131HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-27.4092)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ASP-135ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.8771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079PHE-089PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3378)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079PHE-100THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.7451)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079PHE-104LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3585)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079SER-088ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7734)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079SER-208TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079THR-089LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0206)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079THR-089LEU-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4076)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079THR-110THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.1064)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-084PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.3372)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-109VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7920)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-112LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-112LEU-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0641)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-146PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.3786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-153TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6735)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-167GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=1.5462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079VAL-087LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079VAL-094ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3675)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ARG-088PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.7459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ARG-090ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.2993)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ASP-087LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-112.2002)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080GLU-092ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.1979)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080GLU-155ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-118.9563)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ILE-112LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5464)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080PHE-085LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080PHE-098SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5052)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080PHE-166PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9278)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080THR-090ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.0846)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-088LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2804)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-090TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.0078)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-095ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9792)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-108LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.4028)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-136ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4360)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TYR-129TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.9257)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TYR-172GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=1.4314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ALA-088ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8282)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASN-084LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.7944)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASN-085SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3046)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASN-100TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.7206)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASP-092SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-18.4499)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLN-085ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-22.2267)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLU-101ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=5.6788)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLU-103GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5375)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLU-103GLN-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-13.6725)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081HIE-202PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.8663)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ILE-085ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.6529)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081LYS-105VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.0522)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-106CYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=12.8256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-134GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4989)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-134GLU-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-8.6397)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-138ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.8366)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081SER-087PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4000)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081TYR-085ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9159)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081TYR-130VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6257)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081VAL-105TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081VAL-149HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3240)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ARG-088PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9213)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ARG-088PHE-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.4431)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-121LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5542)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-135ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9028)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-136PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-186VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9411)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082LEU-176PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7780)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082PHE-091ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.9871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082PHE-102TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.7365)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082PHE-104VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9482)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-108LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4434)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-126SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5621)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-127PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.7844)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-130VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6728)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ASP-089HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-23.1880)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ASP-105TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=3.9196)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ASP-136ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-93.8872)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083GLU-094TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-7.2622)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083HIE-086GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-25.2570)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083HIE-089ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-24.9961)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ILE-155ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7269)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ILE-173LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-087LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2404)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-088TYR-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5732)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-101GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9601)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-108VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5275)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083THR-086MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.8205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083THR-087GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2687)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083TYR-087PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.8849)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083TYR-094TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2814)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083TYR-096ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.7279)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-087LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8166)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-094PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8293)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-094PHE-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7347)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-103TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5062)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-140TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9993)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-153PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.2162)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ARG-089ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-87.4771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASN-099LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASN-103TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-7.9883)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASP-087PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.4333)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASP-107ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-13.8221)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASP-126VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.4145)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084CYS-090LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-10.9205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084LEU-090LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6313)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084PRO-122PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2415)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084PRO-135PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084THR-107PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.8635)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084THR-108TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8213)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084TYR-089ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.7477)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084TYR-095LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2851)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085ASN-099TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3996)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085HIE-094TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.5754)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085HIE-101TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.5650)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085ILE-089ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4778)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085ILE-103LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-094PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9685)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-108LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4754)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-137ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1427)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-138LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7805)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LYS-088GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-111.4206)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LYS-094TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.2037)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085MET-136PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0578)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085PRO-090LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8737)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085TRP-089ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.8755)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085TRP-135LYS-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-7.2344)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ALA-101GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7669)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ALA-104TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9174)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ALA-136PHE-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.0289)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-091ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-6.1050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-092TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-6.2600)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-112TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-10.8002)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-115ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-111.7481)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086HIE-089GLU-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=14.7375)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086PRO-090ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086SER-136TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.2647)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086VAL-105LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6962)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086VAL-116VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6605)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087ALA-171PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.0407)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087ALA-173TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3663)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087ASN-091LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=3.5453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087CYS-119ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=6.4480)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087CYS-121LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.2085)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087GLN-139ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-6.4032)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-095PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-095PHE-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1663)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-096TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-109VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4875)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-153PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.1742)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087PHE-126VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7041)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087PHE-186VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087PHE-188VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0076)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087VAL-102LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.0545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088ASN-092ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2628)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088ILE-135LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.2671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088ILE-135PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3876)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088LEU-108ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6046)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088PHE-092LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9141)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ARG-106ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-92.2767)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ARG-108TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-12.2449)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ARG-131VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.2992)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ASP-092PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.1125)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ASP-112ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-13.7247)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ASP-131VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.4867)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089CYS-105LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3773)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089GLN-117PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.8585)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089GLN-125TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ILE-112TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089LEU-127VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0241)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089THR-098LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089THR-098LEU-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089TYR-094TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5016)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089TYR-153VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5858)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ALA-121PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5994)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ARG-187SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-7.9391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090GLU-119ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-101.4973)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ILE-099LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6874)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ILE-107SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ILE-190VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3816)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090LYS-122ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.6206)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090LYS-122ASP-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.6594)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090PRO-129TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5752)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090PRO-154VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5406)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-095ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-8.2844)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-095ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-099ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8684)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-105LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-112GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=6.1906)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-113ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.2716)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091ASN-096TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-6.7916)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-098SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.4918)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-118THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5737)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-118THR-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.5246)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-121LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9805)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-122ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=11.5289)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-125HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0595)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-127VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8499)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091LYS-140SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8966)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091LYS-140SER-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-16.8454)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091THR-094HIE-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-6.3593)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091VAL-094ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.1568)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092ALA-164GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7151)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092LEU-095HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PHE-099TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.2974)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PHE-120VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7870)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PHE-131VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9418)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PRO-102HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4575)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PRO-133LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0234)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092TRP-100GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=22.4763)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092VAL-117PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0855)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ALA-099THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7632)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ALA-164ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.3818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ASN-096LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6042)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ASP-097THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-21.5339)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093HIE-118GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.8562)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093HIE-120ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5732)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093PRO-184PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094HIE-099THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3967)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094HIE-104PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.6265)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094ILE-114TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9360)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094LEU-132VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8435)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094LEU-182MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8379)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094LYS-112ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-122.0398)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094PHE-098ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.1804)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094PHE-141ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6588)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094PRO-135MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8230)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094TYR-097THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3063)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094TYR-151VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8482)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094TYR-153VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6719)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094VAL-125TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8773)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094VAL-152LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.1442)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094VAL-166PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3993)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ASN-164ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-22.9617)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ASP-102TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=4.9678)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095GLN-098TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.8736)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095GLN-185THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9343)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095GLN-187ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-6.0515)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ILE-120TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5984)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ILE-120TRP-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9163)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ILE-144THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5727)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LEU-103ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4706)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LEU-130VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6642)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LEU-133LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6757)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LYS-107ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9100)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LYS-109THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-14.8268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LYS-127ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-6.1257)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-099LYS-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.4796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-118ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7762)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-154ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2275)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-160VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9176)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-160VAL-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4414)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095SER-114THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095THR-182ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=1.6844)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095TRP-099LEU-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4291)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095TRP-104VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7832)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095TYR-106TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.2735)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ASP-100ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-21.4247)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ASP-101GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-22.3437)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096GLU-121LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.0857)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-101GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.1955)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-103SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.4041)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-126LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.7157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-127ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=12.2853)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-132VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3327)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ILE-127VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3473)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ILE-127VAL-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.1255)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096TRP-110LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096VAL-105LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.1186)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096VAL-108THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7844)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ALA-105LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5854)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ALA-117HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9269)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ASN-102TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.7958)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097GLU-101ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-103.1486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ILE-105THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097LEU-111PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1154)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097LEU-113ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=1.3886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097LEU-128PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1572)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PHE-103ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.1198)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PHE-181TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.6099)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PHE-183ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9307)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PRO-106ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5717)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TRP-145LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4477)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TRP-173TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.8780)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TRP-213ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0445)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TYR-101TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.5586)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TYR-179LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.4292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TYR-179LYS-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.5720)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097VAL-112TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7602)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098ILE-145ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6004)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-101VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9539)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-115SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0022)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-117ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5172)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-136PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8873)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-144VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4918)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-144VAL-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5737)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-146TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0156)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098PRO-101GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4060)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098PRO-102ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.0136)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098PRO-114PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7463)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-112PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.0796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-127VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.1054)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-138TYR-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=2.6445)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-164ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-17.3237)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-101GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1333)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-105TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6729)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-152ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7340)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-286TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7862)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-287LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-102HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.3156)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-147VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.7811)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-149ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5148)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-177ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-104.0885)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-216GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-87.4648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099GLN-108GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.7613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099GLN-148HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.2485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ILE-103ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099LYS-104THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099MET-107ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099MET-126VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.1996)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099PRO-104TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.7240)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099PRO-164PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0641)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099PRO-166GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.9222)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099TRP-118PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2126)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099TRP-272GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-23.8956)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ALA-112PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ASN-113LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9197)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ILE-103HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7909)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ILE-104LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.8888)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100LEU-130VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6659)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100LEU-134ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100LEU-142LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4294)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100SER-119GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-20.2419)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100SER-131VAL-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0524)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100SER-148ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=2.1789)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100THR-104LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100TRP-103LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-11.3040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100TRP-103LYS-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2643)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100VAL-283ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6132)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ALA-104ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.1526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ALA-128ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6755)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ALA-138TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ARG-142LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.0098)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ASN-125HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.1537)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ASP-145THR-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-18.5671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ILE-110LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8944)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ILE-110PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4881)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ILE-123ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7086)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101LEU-111TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101LEU-125TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6853)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101LEU-132ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TRP-132VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9103)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TRP-135LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.5720)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TRP-177ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8870)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TYR-151VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4017)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101VAL-106LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9023)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101VAL-132PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3587)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101VAL-132PHE-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2685)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ALA-114PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.1057)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ASP-106SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.5229)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-109TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.6949)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-127GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7315)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-269HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.7461)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-270TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9227)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-272GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.3397)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-110ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5228)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-145ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5554)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-149TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1738)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-149TYR-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.0545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-153PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7389)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102SER-165LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-8.1774)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102SER-169ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-17.8164)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102VAL-133PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ASP-149TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-21.9205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ASP-269HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-11.0424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLN-108PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.5948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLU-106LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-113.0157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLU-108TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-20.3127)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLU-177ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=81.7719)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103HIE-168TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-10.9059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ILE-110VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5632)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ILE-130VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ILE-132PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7358)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103PHE-122MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103PHE-127LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8417)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104ALA-125TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3320)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104MET-112ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104MET-133PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3950)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-107ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6876)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-129ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.2338)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-147LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4365)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-166GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-21.6763)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-168LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5883)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-169PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0675)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-202PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.8527)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-205GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104VAL-108ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104VAL-112SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5552)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104VAL-126ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7345)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ALA-115GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5178)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ASN-139VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0954)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ASN-146GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.9718)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ASN-154ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=5.0525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ILE-128LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.2283)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ILE-131ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5226)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ILE-135LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6405)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105LEU-114TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9392)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105LEU-168ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0257)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105LEU-175PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PHE-127LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9294)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PHE-130ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.7652)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PHE-130ARG-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6134)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PRO-128ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.2142)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PRO-181TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-7.9869)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105TYR-149HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.3637)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106ASN-130HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=1.5635)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106ASP-133GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=5.0974)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106GLU-129LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-113.3222)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106ILE-168ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106LEU-126LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3264)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106LEU-149PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5340)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106LEU-149PHE-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106PHE-109PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.1328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106PHE-178LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.3983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106SER-128PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.5306)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106TYR-112SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9972)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106VAL-112LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6419)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107ASP-125ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-23.9402)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107ILE-153TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9038)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107ILE-158MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107THR-125ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6395)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107THR-129LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-18.0727)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107VAL-147PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9419)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107VAL-147PHE-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8872)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108ILE-122VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6315)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108ILE-146GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4471)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108LYS-131ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3942)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108LYS-160LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.2270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108PHE-125TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.7159)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108PHE-127PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6073)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108PHE-150VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8908)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108TRP-151ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.8190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108TRP-155VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6547)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109ARG-115GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-113.0382)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109GLN-161GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4580)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109GLN-161GLU-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-12.9022)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-113ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9896)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-181ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8979)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-182VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2543)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-185VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-228TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.5686)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109SER-137ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=1.6430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109THR-131VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1403)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109THR-158MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7746)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109VAL-164ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3863)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ALA-161PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.7342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ALA-164ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110GLU-129LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-114.4629)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-116PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0615)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-149ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-151VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0173)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-162VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110LEU-125VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3976)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110LEU-127ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3745)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-123ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.2433)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-128PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-222TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.1814)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-226LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0929)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-226LEU-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1941)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110THR-127GLN-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.7556)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110THR-129TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.3115)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111ASP-156SER-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=8.4553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111ASP-193HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-10.1756)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111HIE-218LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.3078)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-116ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8622)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-130TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-158LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4676)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-169LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4702)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111TRP-115GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.1177)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111VAL-125ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5054)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ALA-128PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8481)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ALA-131VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8725)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ARG-115ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.8097)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ARG-125PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9996)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ARG-127GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5880)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ASP-183GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=84.5698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ILE-125VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.1979)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ILE-142ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9837)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112LEU-142PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1904)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112LYS-127LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112PHE-121LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4813)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112PHE-125HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TRP-119ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TRP-119ARG-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.9567)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TRP-120VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5511)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TYR-125GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.1456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TYR-128LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9089)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TYR-190ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-8.1632)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-118ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.0034)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-120VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6331)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-122VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3670)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-225TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9750)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ASP-195GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-14.5260)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-131VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5112)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-164HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2179)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-185VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.0869)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-190ARG-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9643)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-232ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0100)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113LYS-117GLU-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.6584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113LYS-170VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7480)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113LYS-173GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-123.7651)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113SER-120ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4557)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-119PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.8615)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-124HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.7183)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-126ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9135)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-171ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-21.9447)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-178ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.1633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TYR-124THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1122)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113VAL-120HIE-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9622)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113VAL-143PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8388)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114ALA-160ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114ASN-122ARG-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7750)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114ASP-179LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.5325)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114GLU-144ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-7.7981)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114GLU-146ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-120.0741)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114LEU-118ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114LYS-225TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9630)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114VAL-167GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.9957)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115ASN-124LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0780)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115ASP-156ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=83.9122)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLN-118ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.6426)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-123PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0813)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-123PRO-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.9619)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-160GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=62.6240)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-163TYR-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.1218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115MET-168TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7299)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115PRO-129TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.4356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115THR-138VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4539)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115THR-142GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-19.4741)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115THR-142GLU-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-17.6165)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115VAL-122MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6598)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115VAL-123PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7490)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115VAL-130ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.4896)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116ALA-162PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1236)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116LYS-144SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-8.7969)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116PHE-130VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3952)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116PHE-165VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117HIE-123PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3751)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117ILE-142PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PHE-125TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PHE-130HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3152)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PRO-126ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8368)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PRO-129TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.9614)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PRO-130LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5166)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117VAL-166ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6680)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ALA-160VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.2416)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ARG-157ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=9.0841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ARG-185ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=62.6214)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ASP-136HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-25.8827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118GLN-121PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118GLU-173PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.3854)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118GLU-176THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7167)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-136VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4879)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-165ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3864)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-166TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-178TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0600)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118THR-121LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0068)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118VAL-162PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5296)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119ALA-160LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5552)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119CYS-168HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.3842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119LEU-137ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.0120)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119LEU-137ALA-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3882)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119LYS-186VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6780)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119MET-144SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119PHE-124HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.4922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119PHE-176THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0332)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119SER-123ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.8102)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119SER-140TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5766)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119THR-123THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9249)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119THR-123THR-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4025)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119TYR-174ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120HIE-185ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8505)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120ILE-123TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4725)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-123ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-124ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.8387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-124LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2149)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-135ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7313)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-171TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3756)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-171TYR-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6580)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LYS-138VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7813)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LYS-142ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-98.9031)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120PRO-126ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5055)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120SER-136HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120THR-143VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3144)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120THR-147GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-19.6397)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120TYR-141PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2322)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120VAL-123ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8036)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120VAL-154ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7941)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120VAL-275LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121ASN-132THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121GLN-144ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-22.0828)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121LEU-125HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121LEU-125HIE-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7114)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121PHE-126VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1859)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121PHE-191LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121PHE-219TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121TYR-125LEU-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.0015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121VAL-157ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8899)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122ASP-125LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.8573)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122LEU-188VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5036)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122MET-126GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-7.8789)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122VAL-125ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122VAL-143VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122VAL-152PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6132)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123ALA-128VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4878)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123ALA-158ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=1.7517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123ARG-127GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.8070)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123MET-140ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123SER-182ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6287)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123THR-136SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.9416)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123TYR-154VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123VAL-134LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3797)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ALA-156THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4472)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ASP-131THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=4.1823)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ASP-132THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-19.8581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ASP-134ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-112.1719)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124GLN-200ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8745)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124HIE-140GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-24.6576)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124HIE-143VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124LEU-136HIE-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124LEU-181VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3794)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125GLU-192PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.1985)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125ILE-136TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125LEU-129LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125PHE-143VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1904)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TRP-138SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.1129)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TRP-150VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1378)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TRP-152LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.8844)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TYR-164HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.8489)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ALA-140GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8520)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ASN-129ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.8915)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126GLU-130ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-104.4909)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ILE-136PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7527)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ILE-139PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1837)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ILE-139PHE-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.5170)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126LEU-130HIE-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0630)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126LEU-162PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8719)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126LYS-158ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6257)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126PHE-132HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4623)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126PHE-171TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.4394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126PHE-176TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.6408)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126SER-171ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6622)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126THR-197TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2434)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127ALA-177ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.3080)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127GLU-146ARG-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-97.1501)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127GLU-269HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1132)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127GLU-269HIE-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=13.1113)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127LEU-210VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4207)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127MET-131LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3723)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-132ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2630)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-133SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9223)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-138SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5823)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-140HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.4254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-158VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8762)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-183TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.1770)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-206ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0888)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-237ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-239PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.9121)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128ILE-131LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5679)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128LYS-183TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.3766)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128PHE-235LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6574)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128PHE-252LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5787)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128PRO-275LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0346)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128TYR-158MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.8725)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128TYR-160LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1631)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128VAL-160LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129ASN-132TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.5460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129ASP-140HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-24.8434)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129ASP-148TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-155PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8765)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-192PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4170)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-195PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.1939)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-277TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.8027)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-277TYR-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129PHE-133VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8833)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129PHE-156ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-7.1203)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129PHE-166PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9565)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129TYR-133ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-8.2585)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129TYR-136TYR-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.2041)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129VAL-159PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1132)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129VAL-184PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6937)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130ARG-170TYR-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.0716)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130ARG-244ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.0097)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130ARG-248GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-76.5266)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130GLN-134GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-16.8968)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130GLN-137ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.2934)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130PRO-135ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9974)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130PRO-139ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5787)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130PRO-180PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130SER-149HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-8.3412)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130SER-153TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.4941)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130VAL-139ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.2176)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130VAL-162VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5625)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130VAL-185PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9745)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ALA-140HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ARG-134GLU-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-79.4771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ASP-147PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4293)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ASP-182PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.4024)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131LEU-136VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.0236)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131LEU-160MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131PRO-219VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6101)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131PRO-220GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.0984)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131THR-149LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5426)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ARG-136ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.6149)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ASP-156ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-102.6190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132HIE-135LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9888)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132HIE-147ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-25.6671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132HIE-149ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6018)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ILE-135PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8384)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ILE-138TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.0875)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ILE-146TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132LEU-198PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8876)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-162VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-174SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.7804)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-176VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-183GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.8776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132TYR-136PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.7841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133LYS-136ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-102.8780)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133LYS-198PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3108)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133PRO-151ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.0014)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133SER-161GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-17.7474)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133TRP-143MET-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.4040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133TRP-148VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.6623)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133TRP-277TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=1.2878)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133VAL-137ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.7510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133VAL-146TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134GLU-138ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-104.2257)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134ILE-147ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.9109)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134ILE-167LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134LEU-205TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5154)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135ARG-193VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.0335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135ILE-180PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8066)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LEU-139LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LEU-163LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.2265)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LEU-179LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3000)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LYS-157GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-105.2958)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LYS-177ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9024)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PHE-147TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.9193)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PRO-140SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8043)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PRO-144LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8761)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PRO-155PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5048)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135TRP-147GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.9133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135TRP-208ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0738)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136ARG-142ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.2368)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136ASP-198PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-6.9379)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136ASP-201VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.1961)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136CYS-143PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.0356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136PHE-141ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7509)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136PHE-146TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9734)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136SER-144ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-14.2958)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136TRP-155CYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3182)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136TRP-165ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-22.5050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136TRP-179MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136VAL-169LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6327)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137ARG-154TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.5449)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137ARG-154TRP-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-6.6147)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137ARG-157GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-100.9800)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137GLU-143MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.9872)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137SER-156ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8934)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137TYR-166SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.2224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138ARG-142GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-92.5315)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138ILE-156ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.8684)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138LEU-149PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138PHE-153PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.4985)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138SER-169VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8052)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138TRP-146PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.0684)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138TRP-243LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.1703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138VAL-144ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139ASN-154SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.8773)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139GLU-144LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-116.1619)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139ILE-143TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2449)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139LEU-204TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2680)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139PRO-180PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3221)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139TYR-148SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4275)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140GLU-143VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.8030)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140GLU-155THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-16.6702)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140GLU-156ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-118.7410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140LEU-168LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.1422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141GLN-160PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8124)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141LYS-144GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-111.0512)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141MET-155ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5237)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141PHE-152PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.1175)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141SER-144ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-13.7166)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141SER-154ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3570)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142GLN-154GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.2842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142ILE-155LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4443)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142ILE-155LEU-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142ILE-185VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142PHE-170ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8179)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-147LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-8.9577)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-148TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.6892)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-150VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.1707)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-160PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.7583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-170ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.0146)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-199THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2406)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-203VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8198)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143ARG-187ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-115.7538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143ARG-188LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=62.5453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143GLN-147GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-23.2122)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143ILE-146VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143LEU-160ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.6188)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143TRP-146LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.0560)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143TYR-150ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.8531)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143VAL-147LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6352)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143VAL-152PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9550)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144ARG-147GLU-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-92.3045)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144ASP-150SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-15.2086)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144ILE-155THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8594)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144LYS-161GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-122.1338)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144PHE-153LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.0287)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144PHE-155ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6588)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='145GLN-149MET-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=3.7137)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='145LEU-149PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9030)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='145THR-149PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6085)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146ARG-207GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-118.3510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146GLU-158SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=9.2755)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-149PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.6010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-150LEU-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-150VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4245)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-164TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1259)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-165PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0716)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-199LYS-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146VAL-161VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6086)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146VAL-161VAL-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4661)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146VAL-165HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4447)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147ASP-171TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-25.0037)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147ASP-188LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-110.9630)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147LYS-203VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5831)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147PHE-159PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.6223)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147PHE-182PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.8303)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147VAL-175SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7975)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148ALA-158LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5722)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148HIE-152GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.5441)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148ILE-202VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5480)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148ILE-204ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.3935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148PHE-164HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.6072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148PHE-165TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.2564)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148SER-163ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148TYR-170ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1992)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-167THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1691)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-171TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.8677)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-175SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.7873)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-177ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-6.2553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149LEU-152GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4580)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-159ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.8036)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-164PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0929)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-165PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6570)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-169VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5454)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PRO-152GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.0352)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PRO-152PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8252)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149THR-157PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9062)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149TYR-153PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.6031)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150ARG-157ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-112.7601)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150ARG-208ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.2097)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-153PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7872)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-154TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4806)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-159PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1587)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-167LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4239)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-170HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9862)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-202LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8175)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-203GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.4075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LYS-158LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5123)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='151ILE-159VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.0383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='151SER-159PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.0263)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='151THR-163THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=5.3506)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152ASP-156LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.1069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152ASP-158LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2174)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152CYS-197VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.6828)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152LYS-156ASP-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-115.1277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152LYS-277TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.5238)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153ASP-156ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-67.0978)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153ASP-200ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-105.9314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153LYS-203GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-115.2963)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153PHE-163LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1416)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153TRP-158MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.6383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ARG-204ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=61.9201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ARG-208TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-10.5458)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ILE-159GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5508)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ILE-160VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5260)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154LEU-191TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1461)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154LYS-159ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154TYR-203GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=4.9792)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154TYR-207ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.5436)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PHE-197TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5619)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PHE-277TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.9072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PHE-284LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8240)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PRO-170TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2322)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-171ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-94.7011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-172THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-14.3387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-197GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-113.9139)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-200TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.5250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-200TRP-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-12.1395)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156SER-191TYR-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6752)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157ASP-202VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.2522)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157ASP-204ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-117.8909)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157ILE-160CYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3089)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157MET-181ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.2543)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157MET-192ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9918)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157PRO-161VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9555)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157VAL-167PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1859)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158ALA-193HIE-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8729)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158ALA-284LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3838)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158ILE-164LYS-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158LEU-172THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.1951)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158VAL-169VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.0842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158VAL-205TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1423)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ALA-197TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159GLU-170LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.3301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-172TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5636)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-199LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8006)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-200TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-203PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4242)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PHE-206ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PRO-164VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5367)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PRO-178TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.5561)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PRO-192ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0000)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159VAL-180LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0641)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160LEU-164TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5048)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160MET-169LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0745)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160PHE-169VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6227)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160PHE-203VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9815)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161ARG-285ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-86.3566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161ARG-288ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.1202)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161ARG-292GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-119.2938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161THR-194VAL-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.1766)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161TYR-201ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.1912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161TYR-204ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1355)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161VAL-170LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4756)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162ALA-174ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6806)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162ALA-175TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.1710)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-198PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0340)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-201LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3675)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-203VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7255)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-208ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.0964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-284LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162PHE-168LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.8963)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162PHE-207ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2362)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162VAL-167CYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8561)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162VAL-167TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162VAL-167TYR-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ARG-201LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.1958)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ASN-166ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6866)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ASN-196ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.5927)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ILE-166CYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6412)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163LEU-171ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5529)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163LEU-175LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.1143)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-174ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.0119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-178TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.5023)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-180LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9331)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-180LEU-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-183LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-6.2560)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-184VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-187GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=4.2368)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='164VAL-171ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8752)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='164VAL-225LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5712)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165ALA-292GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.2452)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165GLN-224MET-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.8642)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165LYS-169ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-112.1631)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165PHE-169VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4102)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-168ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=3.3581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-171VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4879)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-208ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8548)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-208ILE-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4549)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165VAL-177ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5412)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='166ILE-187ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='166PRO-171VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5641)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='166PRO-172VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3800)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='167GLU-187ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-116.6707)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='167PHE-170TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.5618)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='167PRO-170VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0597)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168HIE-180GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-24.2758)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168ILE-178VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4559)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168LEU-172ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.4053)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168LEU-211ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.8963)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168TYR-203ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1619)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168TYR-224MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169ASP-172SER-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-18.3644)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169LEU-181TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3404)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169LYS-172ILE-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.7740)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169LYS-291ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4547)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169MET-184VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.1115)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170ALA-175TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1509)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170HIE-174LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170LEU-178LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9708)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170LEU-186TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2695)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170THR-180GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5937)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171ASP-176THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-17.2040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171THR-180SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.0396)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171TYR-180PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=2.3166)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171TYR-231VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0985)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='172ASP-204TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-25.3451)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='172ILE-235VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5725)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='172TYR-193VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173ARG-234ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-116.0874)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173ARG-296LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=58.7062)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173CYS-269HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7134)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173CYS-270TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0275)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173LEU-190VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5414)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173PHE-176THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9135)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173TYR-211PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0975)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173TYR-213ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9784)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173TYR-245ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2246)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174ASN-178LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-24.4457)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174MET-177ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1373)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174THR-205LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3448)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-203VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8123)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-205PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5754)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-270TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.1970)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-273GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7103)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-273GLU-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8519)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='175LEU-233ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3539)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='175VAL-268LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9505)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='175VAL-274ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-6.7132)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ALA-195LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6266)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ARG-182GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-114.2469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ARG-273GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-76.2372)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ILE-198PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ILE-201ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4752)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ILE-205LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-204TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6650)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-208ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6628)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-208ALA-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5177)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-214PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4589)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176THR-180LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7439)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='177ASP-216GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=70.6080)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='177GLN-190VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0420)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='178SER-239ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-18.4955)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179ALA-225TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179ALA-238MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7266)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179ALA-250ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179LEU-239PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6537)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179TYR-216GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=4.4583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179TYR-250PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.7012)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179TYR-258TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.0949)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180ASN-219SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.6658)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180ASN-229TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.4613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180GLU-187ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-101.0732)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180GLU-189ARG-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-104.9616)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180GLU-194ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-114.9158)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-184VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2789)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-209TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-10.8861)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-214PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4959)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-224ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7943)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181ILE-228TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1243)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181THR-195SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.9330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181TRP-185GLN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9677)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181TRP-189SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181TRP-258TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.6392)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ASP-186ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-11.1072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ILE-192ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7392)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ILE-239PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9883)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ILE-242LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5047)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182PRO-186LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3759)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182PRO-186LEU-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0572)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182PRO-189ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.9232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-190LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3547)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-194ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-205LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.1639)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-209TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=2.1548)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183TYR-186LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-14.6316)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184ASP-187ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-87.5796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-205THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.7083)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-209LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3080)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-225TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.1997)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-228VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2085)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-238MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.7121)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-255TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184THR-220ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184VAL-225GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185PHE-190LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9479)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185TYR-220PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3385)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185VAL-224ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.1224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185VAL-228TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3048)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186CYS-192PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7820)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186GLU-189LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-108.7399)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186LYS-191VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6436)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186LYS-191VAL-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186TYR-273GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=5.0122)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186VAL-208PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1432)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186VAL-223LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5315)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='187LYS-193THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5145)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='187LYS-193THR-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6395)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='188LYS-225GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.1253)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189THR-199LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.2786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189THR-205PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2815)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189THR-207GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-16.1939)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189TYR-232ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4644)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='190ARG-235LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.0171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='190LYS-193GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-108.6337)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='190PHE-199LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2053)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='191LEU-219TRP-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.2747)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='191TRP-229TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1442)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='192GLN-197VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6049)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='192ILE-242LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5226)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='192SER-269ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-9.6112)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='193HIE-248MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8348)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='193HIE-301MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.8181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194ASP-269ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-118.9717)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194ILE-205LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5686)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-198PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.7133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-201LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.7256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-217PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-233ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.7525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-237ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4764)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-241TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.5474)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195ASP-241TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=6.1618)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195LEU-205PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8257)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195LEU-237ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3403)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195LEU-269ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.4343)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195PRO-198PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.5856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-218GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=10.7235)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-221MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7537)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-249ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-249ILE-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4009)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='197TYR-201LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6712)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='197TYR-252PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.8413)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='197TYR-284LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198ASN-201LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6700)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-205PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3461)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-217PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9361)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-284LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9905)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-287LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4955)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='199LYS-207GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-108.6585)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='200TRP-204ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.1107)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='201LEU-284LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='201SER-209ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.2067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='202TYR-212ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6381)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='202TYR-241TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9835)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='203VAL-291ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205LEU-212ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7965)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205MET-223ASP-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-5.5387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205MET-224MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5717)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205THR-209LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='206ASP-210TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-27.1858)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='206VAL-231TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2934)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='207PRO-216VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4167)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='208ALA-214PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1399)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='209TYR-214PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5478)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='210GLU-213LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-109.5238)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='210TYR-216ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5884)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='210TYR-286TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9869)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='211ASP-214LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-114.4972)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='211PRO-245ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.7231)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='212ALA-221GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.3765)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='212ILE-243LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.7777)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='212PRO-215ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9544)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='214ILE-217PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5174)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='215ALA-282PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6775)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='217PHE-234TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9874)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='217PHE-247ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9504)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='217PHE-249TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.4217)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='218ALA-249TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.4429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='218ALA-258TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4870)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219SER-229TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.3817)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-222TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4031)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-222TYR-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5828)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-272ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8600)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-286TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1323)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-288LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.0818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='220ALA-256THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6910)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='220ALA-286TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.0608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-226LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-4.1112)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-230LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-111.3921)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-231TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=7.4201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-262SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-18.0505)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-263SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-18.4289)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-265GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=81.2349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='222ALA-249ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5853)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223ASP-286TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=4.8522)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223ASP-288LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.5014)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223ASP-289SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-19.5129)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223LEU-227ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=1.2251)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='224MET-229PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.3122)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='224MET-229PHE-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3368)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='225ASN-228ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.6033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='225TRP-228VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9618)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='225TRP-252GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.2764)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-233LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.2640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-247VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0507)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-294TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.2750)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-294TYR-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4167)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LYS-262SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-17.6158)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='227HIE-255SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.5048)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='227HIE-256LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.1426)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='227HIE-289SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9169)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='228ARG-232GLU-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-91.8035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='228VAL-254THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.2950)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='232PRO-290LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234ASN-237ASN-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4399)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-260LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8291)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-262VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4156)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-286TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9316)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-286TRP-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.3034)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='235VAL-294ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5658)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236ILE-258LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3942)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236ILE-260ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8589)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236PHE-262VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.8107)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236PHE-279ILE-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.7205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236PHE-282GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0106)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237ILE-267ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237ILE-269ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4515)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237TRP-246PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.9021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237TRP-249ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.5047)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237TRP-263ASP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.7513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='238MET-247PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9644)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='238MET-255TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.0741)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='239ASP-244THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-3.6276)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='239ASP-271PRO-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-12.1730)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='240ASP-270SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-17.7733)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='240PRO-268LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6803)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='241ARG-272GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-92.0327)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='243LEU-269HIE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.3432)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='244SER-294TYR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4176)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='245ILE-250ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6927)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='245PRO-248GLU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.2026)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='248MET-298ARG-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8420)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-269MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.5964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-276ILE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.3162)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-297PHE-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.4772)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-300LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6914)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='250ILE-255TRP-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.7687)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='250ILE-255TRP-2', method='SCSCCSDBF12', mode='CP', basis='adz', value=-2.0778)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='251LEU-269MET-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.2699)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='252PRO-258ALA-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.4901)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='253ALA-261THR-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=0.9236)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='253ALA-302SER-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.9470)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='255TRP-261VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.7053)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='258LEU-261VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6644)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='261VAL-266VAL-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.1924)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='264ILE-271LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.6476)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='270SER-283LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8556)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='273PRO-283LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='274ILE-279LYS-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-0.8822)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='275ASN-278LEU-1', method='SCSCCSDBF12', mode='CP', basis='adz', value=-1.0466)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-005ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-61.6155)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-013ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=63.4641)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-015GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-80.6460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-159VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9395)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ASN-026VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7134)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ASN-030MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.9720)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ASN-097GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-16.7620)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001HIE-099GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5377)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LEU-071LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7284)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LEU-154LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5862)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LEU-190THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5159)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LYS-027ASN-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=20.4616)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LYS-027THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7550)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LYS-027THR-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=1.3633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-005GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.2679)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-027VAL-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=2.9197)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-031VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=2.4402)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-047GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-5.0885)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001PRO-046ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.0303)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001SER-030GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.1435)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ALA-101ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7916)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ARG-006GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-90.6776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ARG-020PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.2037)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ARG-046LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.2312)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ASN-022GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-21.2389)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ASN-026ASP-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-8.3122)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ASP-145HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-6.5925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-005GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7472)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-006GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-153PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5782)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-163LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-006GLU-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9331)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-007ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7547)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-035GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-110.5431)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-075ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-22.7360)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-080ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9047)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-082TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-8.4491)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002MET-031TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8680)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002MET-050ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9555)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002TRP-012VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7180)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002TRP-138SER-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-5.7854)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002TRP-139LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-009TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-042PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9365)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-042PHE-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5811)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-043HIE-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.1477)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-046SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3794)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ALA-007THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003GLU-006GLN-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=4.5395)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ILE-062ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.1955)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ILE-065SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.2501)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ILE-067TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003LEU-033LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6747)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003LEU-054LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6574)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003LYS-055LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4182)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003PRO-025ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1755)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003SER-096ASN-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.0878)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003THR-181VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0751)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003THR-182GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.4634)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TRP-163PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.9085)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TRP-167GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TRP-167GLN-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.3970)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-028VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2644)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-028VAL-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-030GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.5759)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-054VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1567)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-056ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6103)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-073CYS-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.8773)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-074SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-096HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.7244)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-009TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-012GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.6755)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-036PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2804)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-064TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9562)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-081THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4756)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-083PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-118ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6873)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-121TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0957)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-024THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-15.3572)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-057ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-057ILE-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.0019)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-095TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4970)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-095TYR-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-5.9548)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ASN-009TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.6751)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ASP-043THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-16.5446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ASP-194ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-102.6820)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004GLN-007ASN-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.5492)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004GLN-056GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-7.0718)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004GLU-039THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-16.3598)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-010TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-031TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2122)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-032HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0802)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-040GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.7684)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-179LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7088)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-180LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.1885)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-180LEU-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9388)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-183LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5161)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LYS-030ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.2450)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LYS-031ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LYS-323PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2561)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-116VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-135LEU-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.8232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-158LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-160PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7036)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-007LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0759)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-009TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.4843)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-026TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.4513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-029PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.2121)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-068VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6267)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-074ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0628)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-094LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1914)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-096TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.4090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004SER-027VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6127)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004SER-030MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5623)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-078LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5675)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-132LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-12.8541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-163LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3966)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-164GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-15.8073)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TRP-014ARG-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4979)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TRP-016LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.3960)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TYR-075PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3804)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TYR-105LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3322)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004VAL-053LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.1521)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ALA-019PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6023)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ARG-012GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-106.8366)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ARG-071GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-95.7910)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ARG-158LEU-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.1409)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ASP-103GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-12.5393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ASP-128ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-100.7988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ILE-054SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2140)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ILE-234TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9352)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ILE-277LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3839)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-010TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9431)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-011PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.2264)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-015LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-023GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8265)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-025ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4772)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-025LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-030ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.1731)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-030LEU-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9012)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-032MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7376)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-037ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-068ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7304)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-077LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4917)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-083HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1755)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-106TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.8404)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-191TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-022VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6631)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-031TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2707)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-037PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5155)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-043TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.1642)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-049LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-050TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.7568)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-155SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7085)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-162GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-163LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PRO-196ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1296)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005SER-028VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6030)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005TYR-166TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.0479)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005TYR-168VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6763)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-008GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4632)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-023LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-035PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3708)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-037ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3732)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-039SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.2141)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ALA-078GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6445)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ARG-090TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.7888)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ASP-010THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=6.1982)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ASP-116VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006GLU-010TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.6499)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-108PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7257)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-126VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5585)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-319TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5399)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-323PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0184)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-018ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-6.6518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-039THR-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6530)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-050VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7279)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-053LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9047)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-061PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.9976)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-163LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7721)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006THR-097VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006TRP-026TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3683)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006TRP-038VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9573)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006TRP-040LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9824)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-020VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7851)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-023MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6100)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-024ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7284)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-026LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-038ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.2609)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-053LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6572)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-055GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.1907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-175PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.7255)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ALA-011ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9799)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ALA-021PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9257)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ALA-049VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3101)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ARG-011GLU-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-102.7595)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ARG-062TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ARG-063PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.6894)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASN-109GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-19.1071)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASP-011GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=7.3364)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASP-119SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-5.6630)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASP-131ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-111.1311)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007GLU-033LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.6110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007GLU-033LYS-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-100.1109)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-015LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9185)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-030LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-030LEU-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-038TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6665)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-042LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.1047)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-097VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-017ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7957)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-026VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.2358)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-033LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5482)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-090TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2645)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-096TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0947)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-168HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6451)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LYS-011ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-113.1020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LYS-093SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8535)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LYS-099THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-019VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7044)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-021PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.7066)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-021PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5712)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-022VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3257)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-024VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.1074)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-035PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2303)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-084LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7556)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-091ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5799)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-111PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0425)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-157ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7146)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-160CYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8415)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007SER-010ARG-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-8.4554)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007SER-100ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.6145)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007THR-031LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.2129)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007TYR-053TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9927)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-022SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9795)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-026GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4831)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-034ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-038VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7024)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-040THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4395)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-154GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6659)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-154GLN-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1162)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-191TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-248MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ALA-034ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3392)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ALA-035GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.9074)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ALA-038MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ARG-115SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-14.9267)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASN-030LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-25.3240)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASP-018ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.7422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASP-018ARG-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-111.2618)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASP-058ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3680)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-012HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7297)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-015TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1325)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-032MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-033PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1096)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-034LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.2315)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-035TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2734)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-041TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0318)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-058PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.2900)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-062TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2249)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LEU-017ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5821)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LEU-088TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2682)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-043THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-14.3348)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-065VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-068GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.0771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-068GLU-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-106.3418)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008MET-158LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.2668)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-042LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8208)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-044ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0720)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-097VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7713)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-099HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.2327)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-101HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.6769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PRO-183ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-13.1262)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008SER-032SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-5.4405)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008SER-093TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1602)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TRP-035PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.2359)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TRP-250PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.9988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TRP-252GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-19.9805)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TYR-052TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7594)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-039TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9618)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-041VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-066LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.1780)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-072SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-080PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2140)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ALA-084LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5326)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ALA-091ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.2006)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-023GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-95.8972)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-031TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-11.6009)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-092LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.3470)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-103GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=5.2627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-106ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-89.4952)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-128ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.4824)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-128ARG-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=59.8286)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ASN-024ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=9.2999)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ASP-021LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.5430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009GLN-068ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9691)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009GLN-072ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.5083)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-013TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0535)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-038LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4127)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-052PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7012)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-092LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8540)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-092LEU-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5701)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-105LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-108PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9384)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-155ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4661)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-013VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6950)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-033LEU-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-039ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6213)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-041VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7007)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-041VAL-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3882)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-055SER-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7823)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-058ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LYS-137LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.4509)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LYS-171VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8360)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009PRO-069TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0138)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TRP-111ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-11.0377)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-016GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=4.3951)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-029THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0688)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-033ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.4960)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-035SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3521)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-050PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.2638)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-053TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.5322)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-111ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-22.9938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-121TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.6641)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-158ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.1141)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-301MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6967)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-303TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.4572)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-021PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.8746)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-025ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4619)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-035ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6209)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-084ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-086TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4042)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ARG-039ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-100.7751)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ARG-042ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-90.6584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ARG-092LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASN-014GLN-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-5.8148)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASN-023GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-23.3379)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASN-088TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.7128)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASP-090TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-25.2808)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLN-022MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9586)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLN-102TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.6926)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLU-014LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-67.8499)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLU-032SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=10.2937)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010HIE-015TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0183)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010HIE-023ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9013)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010LEU-091ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010LEU-096TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8619)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010LEU-132ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8838)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010PHE-028ILE-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-022LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.2323)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-025VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1970)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-032ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-032PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.7292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-034VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0044)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-052TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2542)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-058PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7350)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-081VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.4429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-081VAL-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.4613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-017GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=3.6448)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-049PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.3037)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-052TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.9856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-163TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3260)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-027ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-028LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-034TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8840)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-040PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7511)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-044ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3481)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ALA-016GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ASP-091ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-18.1598)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011CYS-042VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011CYS-042VAL-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011GLU-062TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=3.1214)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011GLU-100THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-8.7608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011HIE-015ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=2.2403)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011HIE-304SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=1.3648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011HIE-306ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.8410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-017LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3571)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-018ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5685)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-024ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6247)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-024ILE-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4715)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-028LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.2266)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-037LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.0898)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-038TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0379)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-042LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-045VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5212)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-062HIE-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8746)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-069TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9137)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-071GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1053)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-102TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7095)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-102TYR-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011PHE-044TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0675)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011PRO-020ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3619)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011SER-223GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-18.6633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011THR-017ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4578)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011THR-166GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.3703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011THR-166GLU-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-16.6739)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-018ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-7.9125)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-023ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-7.8227)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-051GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-10.4150)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-102GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.7788)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-169ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3028)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-144PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0784)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-153LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4726)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-153LYS-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6755)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-155ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.1735)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-055PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6235)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-059PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9439)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-108PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9136)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-139ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASN-048PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASP-024LYS-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-77.4153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASP-026TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-7.3688)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASP-069TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=3.7445)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLN-034GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-6.9607)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLN-044TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3140)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLN-048TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6734)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-017GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-019THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-17.3102)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-068HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=12.4133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-070TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-5.2354)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012HIE-015ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3780)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012HIE-033LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7985)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-016THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-018LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-028LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.2258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-044ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9499)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-046LYS-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.0151)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-046VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-024VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-027PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2440)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-033LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.2349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-035TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2642)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-039ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7397)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-047ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4267)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-057LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4680)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-062HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7172)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-064LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-065LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7166)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-070MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7888)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-074VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.1494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-083ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1409)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-085ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8045)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-088TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-026PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.7964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-040PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-116PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3226)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-163ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7226)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-166CYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012SER-138SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.7672)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012SER-166PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012TYR-087PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.1171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-016LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3534)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-023LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-088PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-114PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0503)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-146PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9339)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ALA-096TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.3869)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ASN-149ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-7.5499)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ASP-016GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=63.0555)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ASP-023ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-117.9325)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-039ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-91.6406)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-052ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-056GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-22.4099)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-065LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.4067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-069ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-115.8663)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013HIE-032ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013HIE-095HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.5446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013HIE-121TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-10.7642)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ILE-017LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ILE-105ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4590)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-017ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.2875)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-063ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5382)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-065PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.8381)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-066ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5143)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-069LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6911)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-077LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.2607)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-082VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5752)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-084ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5482)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-036VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-060TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.1692)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-062LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5042)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-063PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-083ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9980)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-085ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7761)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PRO-032VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.1009)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PRO-034GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5109)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PRO-129THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013SER-047TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3843)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013THR-164GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.9788)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013TYR-075LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.8075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013TYR-075LEU-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4774)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-016PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6455)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-066LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7974)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-154ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2230)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-154ASN-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1535)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ALA-055LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5287)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ARG-083THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=2.6195)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASN-027ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1230)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASN-061LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-24.8603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASN-137TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.4232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASP-017ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-80.9390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLN-093VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4174)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLU-036LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-121.7224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLU-069ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.6336)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLU-164TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-26.7720)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014HIE-043TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-025TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7426)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-027ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3548)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-081PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1542)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-085ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-088MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9226)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-061GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4888)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-070TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7298)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-163ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-174PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9220)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LYS-023GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-125.4199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014SER-017GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-15.8726)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014SER-084GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.7854)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-019GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.3173)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-021PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5878)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-022LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4746)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-022LYS-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.8437)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-082PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.7133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014VAL-091ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4431)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ARG-020ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-100.0195)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ARG-164ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-019THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.9669)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-048GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-7.1693)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-069ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.0606)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-149PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6259)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015CYS-057LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015GLU-019LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-106.7202)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-019PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4502)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-023LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4104)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-030LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8888)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-034LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4226)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-035ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7098)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-136HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5626)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-035TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9019)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-038LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4963)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-080PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6397)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-084TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2465)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-102SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.3117)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-047TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-047TYR-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-13.3466)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-220ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-107.8383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-223GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.4081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015MET-023LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9151)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015MET-023LEU-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9022)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015PHE-039ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8437)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015PHE-044LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4567)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015SER-018THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.1531)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015SER-037LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5875)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-019ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-021MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9194)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-060HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-8.7586)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-061GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-5.4210)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015TRP-025THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1327)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015TRP-096TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.7769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015TYR-034ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.8676)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015VAL-060TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9503)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ARG-047PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.2562)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLN-048ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLN-098LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4263)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLN-101GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.2389)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLU-035TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.8218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ILE-021VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2117)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ILE-145LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ILE-219PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8140)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-036LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.2478)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-046ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.2886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-062LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.1868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-065LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6006)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-072PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4463)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-082SER-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.3877)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-137ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6683)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-141MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7962)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LYS-085GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-106.1325)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-034VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-036VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6715)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-132ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8595)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-176PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.6334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-192LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0448)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016SER-031ASN-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-5.3007)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016THR-022MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1713)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016TYR-079ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5490)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-033THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3155)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-055PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8006)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-059PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4044)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-084ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4160)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ARG-056HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-8.6149)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASN-021LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-19.7012)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASN-029ASN-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-6.6768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASP-049ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-77.0744)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASP-060HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-7.7168)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLN-024ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-8.1593)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLN-093VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.3011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLN-094ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-25.2115)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLU-036TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.4629)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLU-072PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.8002)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017HIE-033ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-20.0919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017HIE-035TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-5.7523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-021LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2514)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-028LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7007)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-028LEU-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3490)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-030PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8641)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-055HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.8477)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-149PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.4624)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-050ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4136)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-056PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5943)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-066LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.2937)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-083ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017MET-020LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-022SER-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.1040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-025TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6437)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-077ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-7.5029)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-081PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.3860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-084LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4226)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017THR-078GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-14.5780)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017THR-307TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6980)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017VAL-049LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6789)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ALA-023VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ALA-026GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.8770)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ALA-027VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3830)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ARG-057THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5310)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ASN-227ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0346)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ASP-032THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-19.8622)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ASP-034ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.1828)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018CYS-132HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.8263)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018GLU-074ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9661)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-022GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3002)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-052VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-055ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3813)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-055PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0414)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018LEU-039ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=1.6402)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018LYS-024TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.4263)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-060HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6554)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-085GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5151)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-086VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1707)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-139LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8149)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018SER-024LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.2984)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018SER-040GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-17.9914)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018THR-035ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5022)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018VAL-034ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6869)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018VAL-164TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5303)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018VAL-166ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7819)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ALA-055HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ALA-058TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2707)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ARG-027ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=60.0813)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ASN-053VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0237)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019GLN-026GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0126)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019GLU-022LYS-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9857)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019GLU-025THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-17.2543)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ILE-051VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-037ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-041VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8867)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-061ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-062LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-062LEU-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9572)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LYS-027VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6143)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LYS-031HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5507)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LYS-071GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-117.1746)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019PHE-049LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7737)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019SER-023ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.0079)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019SER-023ARG-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-6.0080)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019SER-026ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-14.3929)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019THR-022MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3185)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019THR-035GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9441)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019THR-035GLU-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.7787)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019TYR-050TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.4854)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-027ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7116)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-058VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.1074)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-075LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3808)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-081LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5007)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-137ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3198)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-138VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.0420)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-138VAL-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4700)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ASN-039LYS-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-25.5014)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ASN-040LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-24.2737)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ASP-082LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-79.8693)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020GLN-036TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.8482)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020GLN-059ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.1201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020HIE-062ASP-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=10.4073)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020HIE-068LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.2291)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-023VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-032THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-082ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4659)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-309ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3546)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LEU-024VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9414)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LEU-038ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3064)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LEU-042VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=1.0740)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LYS-040GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-122.0423)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PHE-135PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.2251)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PHE-149LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0652)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-023ARG-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=1.0288)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-177PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9997)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-178LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-181ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.1801)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020SER-058VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.1145)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020SER-091ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5751)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020VAL-029TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8700)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ALA-039TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7822)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ALA-057VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ALA-100ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1563)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ARG-033THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6071)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ARG-035GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.4345)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ARG-035GLU-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-91.6964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021GLN-024LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-22.7902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021GLN-024LYS-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021GLN-057TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.8981)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021HIE-061PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-031HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5073)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-036VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6053)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-038VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1649)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-041PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4427)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-077LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.0650)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-088ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7718)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021LYS-032TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-11.4791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021LYS-039ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7568)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021MET-058TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.7092)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021MET-062GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7967)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021MET-069ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1967)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-025GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.1312)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-038VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6378)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-054ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8306)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-060PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.8457)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-072PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.6957)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-072THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7774)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-076VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1816)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-079ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-082PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.6505)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-097LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5691)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-097LEU-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6867)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-113ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.0985)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-131VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9748)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-251HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9942)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-260ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0763)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021SER-142ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.8526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021THR-148GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.1460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021THR-150LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8595)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021TYR-088PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.3816)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ARG-072GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-106.1325)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ARG-073GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-88.0210)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-028GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=2.5649)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-046MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.8670)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-055ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=8.6735)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-058GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.8244)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-147TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-5.4495)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ILE-072HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0679)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ILE-074ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=1.6208)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-057THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8397)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-058PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2620)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-062ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7303)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-065LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6144)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-081LYS-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7991)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LYS-086ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7863)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022MET-041VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6892)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-027ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0750)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-031ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4596)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-039TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.8297)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-040ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4869)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-041PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-064VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-069VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1755)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-069VAL-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-099ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8580)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-166ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1918)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-168TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.6363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022SER-121LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6933)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-026THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6503)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-039TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0790)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-040TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.3339)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-043ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9435)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-055LEU-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-059VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2368)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022VAL-067LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022VAL-079TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8916)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022VAL-079TYR-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ASP-027ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-106.0803)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ASP-042ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-121.0304)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ASP-057ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-115.5468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLN-177PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9086)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLN-217THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-6.2382)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLU-028LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.1938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLU-046LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-110.4018)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ILE-060PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6051)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-035PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9275)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-035PHE-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8966)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-036ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0100)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-055ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4705)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-097LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5774)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-029GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-80.2357)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-029GLU-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.3477)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-064TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-7.6097)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-064TYR-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3951)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023MET-038ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9531)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023SER-051ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=1.6791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023THR-085ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023TYR-026LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7718)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023TYR-031TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.4065)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023VAL-041ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.2027)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023VAL-055LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7716)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ALA-034ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3445)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ARG-073ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-16.3509)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ARG-076GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-109.2750)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-027ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-24.9613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-027LEU-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.2901)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-029ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7482)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-034TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.1179)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-056PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9752)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-058TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.6496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASP-065HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-26.6992)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024CYS-100ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.6020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-040HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-25.1911)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-041LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-050ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.4888)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-054ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-105.2507)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ILE-055TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8932)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-028GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6238)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-028GLU-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.4046)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-029GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0143)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-031LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0908)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-032VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5233)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-054VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5849)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-260ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2281)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-261ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LYS-057TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0939)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LYS-069TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0823)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LYS-069TYR-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-9.4070)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-089LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.1120)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-089THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4512)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-099TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.0495)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-100SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9375)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-130LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024SER-038THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=3.9406)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024THR-041GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.8934)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-032HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1763)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-049ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5752)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-054PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8953)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-079PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.1072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-142VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4547)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-143GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ALA-035TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ALA-037ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7359)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ASN-181ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-7.5104)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ASN-183THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-5.8134)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-029LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2729)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-036THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=1.0884)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-039TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.1747)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-260ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7070)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-274ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0036)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-028VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5592)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-036VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5952)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-056LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3403)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-059ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-084ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.0152)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-084ILE-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4129)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-090ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-091VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4535)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-055VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4941)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-060PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8366)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-075ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7655)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-075ILE-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5262)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025SER-035ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3158)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025SER-075ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=4.2278)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025SER-100ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3331)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025THR-045THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.5998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025THR-100TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3051)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025THR-103LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-17.1852)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-038MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-135ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1222)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-144LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9378)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-146PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.3084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-152GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-21.8645)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TYR-080ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.4713)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TYR-081PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TYR-084LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4977)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-029TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8571)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-057VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6425)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-069ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8046)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-083GLU-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5833)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-185ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7374)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASN-054ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-7.5300)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASN-055ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1874)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASN-058GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-15.6944)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASP-042PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1849)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASP-077PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.5073)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLN-065HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLN-065HIE-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9480)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLU-042HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=13.4366)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLU-057TYR-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-24.8052)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLU-059ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-99.1377)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ILE-037TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1109)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ILE-078ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-037PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-039ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8508)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-040GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9639)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-041VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1389)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-135ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8128)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-029PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.4741)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-099ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7382)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-103HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.9488)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-168TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4098)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-030TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9109)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-036PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7556)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-118ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-217THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.1993)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026THR-031LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026TYR-062ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9749)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026TYR-069TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.6867)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026VAL-041GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.3768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026VAL-041GLU-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.1515)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ALA-074LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8589)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ALA-102ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3246)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ARG-049GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-96.7194)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ARG-055THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.2849)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ARG-094ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-97.4020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ILE-039THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6405)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ILE-046PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6629)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ILE-075LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5177)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027LYS-089LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7750)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-030ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-057VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0167)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-069SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0252)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-071VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-078GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.5295)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PRO-032MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0275)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027SER-034ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6957)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027THR-036SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-5.5502)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-070TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.4310)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-085ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-086TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3684)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-088ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.0276)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-090THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4839)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ALA-038VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.2092)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ALA-041VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3037)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ARG-031GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-17.5705)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028GLU-072HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-24.7104)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028GLU-097LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-114.2788)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-036LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5266)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-091VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5416)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-106VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.7316)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-151VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8823)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-037VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7716)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-055LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.2715)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-058ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9017)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-059ARG-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8293)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-061GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0642)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-133PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6917)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LYS-067TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.5505)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LYS-317ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-21.1693)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028MET-031ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.9983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028MET-037ARG-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8267)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028MET-040HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.4528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028PRO-058LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7960)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028PRO-111LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0838)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028SER-055THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.7250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028SER-056GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.7430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-031THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=2.2576)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-036MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=1.5390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-038VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-058PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.3200)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-085GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4880)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-086ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.2701)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-105PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-128PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.2981)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-170LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.0238)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ALA-274ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6976)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ASN-034LYS-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-27.2525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ASN-179SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.1963)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ASP-070ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=82.1993)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029GLN-033ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=5.2909)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029GLU-045LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.3429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029GLU-055SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-18.8305)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-034VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-036PHE-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0487)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-040GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-045GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2251)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-095TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LYS-035GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.6309)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-094LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9589)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-101TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4573)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-103HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3971)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-168TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.1003)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-177ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PRO-085GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-10.6410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029THR-121TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5625)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029THR-121TYR-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.5321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-302SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9870)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-305ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.6236)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-308ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-8.7594)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-315PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TYR-049GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.2894)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029VAL-036VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029VAL-054LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029VAL-087LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.0622)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ALA-274ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8823)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ASP-320ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-101.3279)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLN-034TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7345)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLN-034TRP-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.2829)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLN-036MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0727)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-033GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-16.0292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-034ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=67.5841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-038PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1892)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-042PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9165)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-049PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-5.3789)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-061LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-115.2648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ILE-034LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ILE-055ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=1.2252)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ILE-093TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1127)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LEU-034LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6351)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-078TYR-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-7.1486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-083GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-119.1661)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-085GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.6612)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-169THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-16.2621)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-042LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8104)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-044ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9135)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-061GLU-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3045)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-151ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.5819)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PRO-057MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.2647)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030SER-109GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-17.8273)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030THR-121LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.9062)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-033THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5145)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-036PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.1524)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-042GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-20.6396)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-046LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.8175)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-073PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1004)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-079LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5042)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-103PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.4668)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-171THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7858)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-176SER-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-5.7817)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-212GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-17.7690)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-213GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.8297)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-216SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1863)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-217THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0963)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030VAL-033VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.0966)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030VAL-044LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030VAL-050ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8547)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ALA-088VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3761)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ASP-034HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=20.3937)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-035LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-037SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-5.9027)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-109LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6480)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-125LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9689)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-128GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-15.4230)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ILE-034ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6025)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ILE-097TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ILE-246ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.1930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-091LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4160)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-125LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-168LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7114)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-213GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.6128)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-060THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8106)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-061ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1235)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-062HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2594)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-076ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5717)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-092TRP-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.6982)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-095TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.3529)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PRO-097VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4395)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031THR-085GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-17.1830)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031THR-128PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6364)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-060ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-23.3295)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-164VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.8781)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-168GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.4340)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-168GLN-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.2927)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-171ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3108)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TYR-037PHE-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.8716)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TYR-048HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.2765)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TYR-051GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.4818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-056PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8981)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-068LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0180)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-071VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6944)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-073VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6221)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-077ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1725)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032ASP-040HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.6480)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLN-116ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-21.2545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLU-035ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-115.0446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLU-169THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.3763)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLU-169THR-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-17.0550)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032ILE-036GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8007)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032ILE-065LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.7519)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-080GLU-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-107.6519)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-083LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9392)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-091LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.6949)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-091LEU-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6222)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032PHE-058ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.2268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032PHE-081VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8849)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032PHE-095LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9999)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032SER-057GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-16.2928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032THR-093LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7417)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032THR-094LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9521)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032THR-128LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3980)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-062ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7508)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-073PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.9339)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-074VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9240)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-083ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-7.5681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-042ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.3883)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-052VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2578)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-056HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8643)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-068LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5155)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-080ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.2450)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-100VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3158)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ARG-189PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.2400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ARG-191LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8229)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ARG-191LEU-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.2726)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ASP-276SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-17.5146)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ASP-279LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-122.2048)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ASP-279LYS-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.7341)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033CYS-047TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.2698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033GLN-092ASN-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-7.9600)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033GLU-036ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-116.9256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033HIE-060MET-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.3102)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033HIE-062THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=4.5599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ILE-037ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ILE-061VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6816)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-053VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7947)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-059ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8956)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-061PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-089ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7575)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033PHE-058PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0736)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033THR-100GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.0133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-062HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9004)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-091ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-8.2130)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-094ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6986)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-094ILE-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3968)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033VAL-048ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8715)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033VAL-055VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3555)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033VAL-091ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6619)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ALA-133LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ALA-152GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.0706)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ARG-060TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-15.9102)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ARG-064LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.8704)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASN-076SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6333)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASN-078TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.1400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASP-037PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.8632)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASP-061ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-82.1452)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034HIE-057HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1411)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ILE-037TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4129)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LEU-038TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2428)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LEU-044TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4878)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-068GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-108.7120)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-070TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-070TRP-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0339)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-086TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-086TYR-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-6.8663)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-045TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.6096)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-058CYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9120)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-062HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-069MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.1888)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-072LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-100VAL-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.3680)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PRO-065ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8370)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PRO-075PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4346)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034SER-105LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5685)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TRP-037TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.9335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-136ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-143MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.9874)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-148VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6186)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-277TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.6489)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-046LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-048PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-072VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4591)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-077LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-111LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ALA-065LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8675)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ALA-067ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.2133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ARG-041THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-13.2342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ARG-042VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8193)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ASN-172GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-10.4361)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ASN-174TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1881)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ASP-046ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-98.7639)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035CYS-038CYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=2.4761)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035CYS-154THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.5437)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035GLU-189PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035HIE-059ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0815)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035HIE-059ARG-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-5.9584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035HIE-061ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.2922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LEU-061PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8522)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LEU-085LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5060)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LYS-083TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.3304)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LYS-090GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-5.9886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-047TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.3758)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-062THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.8394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-097LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-111PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.1185)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-128PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.4745)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035THR-112LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7959)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-045HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.2278)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-058PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.9622)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-064ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-157VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5068)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-161LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-16.3152)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ARG-042GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-109.8333)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ARG-162GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-18.8644)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036CYS-039CYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.1890)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLN-040HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.1398)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLN-105LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5678)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-039ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-118.8271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-039LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-113.9385)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-045LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1726)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-053VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6340)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-056ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-81.5744)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036HIE-063LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.8071)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ILE-040THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.8292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ILE-061ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8136)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ILE-063TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-039MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9817)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-041ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4483)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-046PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4474)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-046PHE-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-047TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-098ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6280)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036MET-049LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.1234)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036MET-054VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=3.0946)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036PHE-075SER-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.2533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036PHE-113ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-5.2126)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036PHE-303TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7124)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036SER-069THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.2183)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036THR-090GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-19.3538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036THR-104MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9638)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036THR-133PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5471)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036TRP-047PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036TRP-049PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9382)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036VAL-060TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4325)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036VAL-070TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.2536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036VAL-086TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ALA-056ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ARG-152GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-119.2206)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASN-040THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=3.1417)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASN-067GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-6.0822)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASP-040ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-79.5495)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASP-064TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-18.4445)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037HIE-050GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-24.1875)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-116PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7876)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-125LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-162PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6780)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-165VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4054)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037LYS-162PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0043)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037PHE-048HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7645)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037SER-043ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-6.2440)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037THR-053ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.5793)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037THR-085LYS-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.7195)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-050ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.5112)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-053LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2705)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-055LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-14.8011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-055LYS-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8921)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-046THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-050LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.7020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-066LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0952)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-068VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ASN-199LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ASN-202PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.0846)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038CYS-095PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038GLN-042ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-21.6956)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ILE-085ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6282)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ILE-094LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.0587)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-045PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8273)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-047TYR-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5558)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-054LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5629)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-109SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6873)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-109VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.2110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LYS-047PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.2057)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038MET-041LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5038)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038MET-146PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.4593)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-042PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.0514)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-042VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0060)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-046ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.1955)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-049PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-061VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7166)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-061VAL-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2515)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-101PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0451)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PRO-108ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.8907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038THR-053PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-063TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.4357)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-065PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.7301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-068TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.1810)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-073ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5285)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-078ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-081TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.7012)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-082ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-132ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1820)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TYR-060TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.6696)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-041VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.2487)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-072PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7345)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-082PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8122)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-083ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.2268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ALA-095PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.2302)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ARG-043ASN-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=5.0559)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASN-042ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-22.0053)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASN-081SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7245)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASN-083TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9758)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASP-057THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-17.3050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039GLN-047ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-16.2370)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039HIE-057HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=8.8207)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-054LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0601)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-055TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0683)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-108ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8745)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-109CYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=2.1800)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039LYS-043HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0594)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039PRO-165PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.2778)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039PRO-166ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6128)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039PRO-199LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3025)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039SER-054GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-17.7320)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039SER-067GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-19.1314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-046THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-5.2298)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-077LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-079LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8715)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-083VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3714)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-052SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.9087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-064VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1782)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-066LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9170)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-066LEU-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.1598)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TYR-043ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.9373)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039VAL-083TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASN-073PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.8678)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASN-077TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.4321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASN-090ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-10.4945)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASP-065THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=2.1467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040GLU-045GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-18.8189)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040HIE-103HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-10.0013)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040HIE-105LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ILE-054VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4563)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ILE-057LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040LEU-063TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0579)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040MET-085ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.6030)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040PHE-052TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.3338)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040PHE-116PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.1936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040PHE-133PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.6686)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-044TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3667)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-048VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8288)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-162GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6963)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-186TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5781)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-270TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6899)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-052GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.3388)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-055LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6970)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-121ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.3047)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-121ILE-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5601)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-122THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.4110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-045TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.5466)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-055VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0471)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-076VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-079ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5889)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-082PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1246)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040VAL-063VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3929)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ALA-047TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.3932)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ALA-081GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0098)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ALA-121ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ARG-051PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.5592)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ASP-084ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-92.7192)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041GLU-045LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-107.9085)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-058ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.0769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-061PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7189)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-107PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4588)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-107PHE-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3793)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-146PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-155PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8955)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-162PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9657)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-170TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6304)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LYS-045GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4881)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LYS-107PHE-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.3510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LYS-110SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-19.1219)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-047SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6479)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-054HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.4112)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-073ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6484)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-077LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8894)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-094LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-6.6218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-094LYS-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.2195)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-104VAL-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7801)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041VAL-059LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7846)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041VAL-064LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.2486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ALA-082ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.2221)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ASP-045THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-19.5958)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-095PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-5.1599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-101PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.3364)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-103PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-6.6862)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-121ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.8458)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ILE-049PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8950)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ILE-052PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ILE-056PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.8638)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-047ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5034)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-048ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0672)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-048VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9161)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-103HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7454)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-105LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5209)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LYS-049GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-123.6338)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-049PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2461)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-054PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0123)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-056SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0994)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-061LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6544)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-064LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2488)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-074LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.1583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-077PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6735)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-085PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6488)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-087LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2307)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-088ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.5932)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-089ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1879)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-089MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.8536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-092TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.6598)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-101VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9756)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042SER-058ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2597)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042SER-062ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=3.8611)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042THR-052ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.5662)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042TRP-049ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-12.3723)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ALA-073PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5073)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ALA-077TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2793)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ASP-054HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-25.3530)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ASP-058ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-119.5350)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ASP-062TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043GLU-104ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.2236)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ILE-055LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.0030)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-050PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8194)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-055THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5534)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-071PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8248)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-114SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5399)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-161TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0773)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043MET-048ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4799)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043MET-060VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043PHE-065PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6447)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043PHE-068TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9943)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043PHE-073PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3074)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043THR-059LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-048GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.6440)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-049THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1797)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-068LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.2372)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-185HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.5762)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-186TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.4106)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043VAL-066LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043VAL-069VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ALA-052ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ASN-048THR-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-5.6030)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ASN-059THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.2511)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044GLN-061LYS-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-28.3661)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044GLU-084ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-95.1097)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044HIE-067HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.7720)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044HIE-073TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.5560)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044HIE-086GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-25.4416)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ILE-101HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-079VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-101ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5432)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-272GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-272GLN-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9905)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044MET-061VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7012)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044PHE-048LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2009)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044PHE-130VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.0173)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044PRO-053ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.7213)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044SER-093ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-14.2711)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044SER-118ARG-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-10.7412)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044THR-118TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2406)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TRP-048TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.5680)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TRP-085PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.9108)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TRP-147TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4223)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-048LYS-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-15.9535)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-059ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2320)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-077LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5626)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-109LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4369)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044VAL-174MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5056)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045ALA-054HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7180)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045ALA-071HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.2295)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045ASP-081GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=89.6498)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045GLN-062LYS-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-24.4698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045HIE-051GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-23.5767)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045HIE-053ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.1199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-049GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.1318)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-049TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.0364)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-054PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-055ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.8259)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-070PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-097LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8979)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LYS-048GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.6267)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LYS-084GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-72.2637)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-057GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-7.6303)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-061VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5141)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-066PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.8593)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-075LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-10.1070)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PRO-080VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4823)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PRO-100VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6439)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-048ALA-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-066VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5008)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-097SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4358)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-168LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1653)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-048ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9273)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-049ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1151)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-100VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-272GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.6861)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TYR-053THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0158)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-050ASP-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-95.5415)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-092TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.9713)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-182GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-76.9009)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-273GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-114.5638)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ASP-083ASP-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=55.4188)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ILE-071GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7068)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ILE-074LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=10.1584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046LEU-068ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4733)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046LEU-103PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0552)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-050LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.9368)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-084LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.8594)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-088MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.8270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-107PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.7307)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-119GLN-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9707)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-121LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-161TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.2515)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PRO-140ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5088)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PRO-141ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046SER-054PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.2913)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046SER-088ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-6.0112)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046THR-069ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.1366)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046VAL-094PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9025)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ARG-050GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-82.0407)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ARG-059MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3810)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ASN-062LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7241)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ASN-276PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1619)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ILE-064LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4315)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047LEU-055LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047LYS-059ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-114.3953)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047PRO-164TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9076)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047SER-065PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0554)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TRP-081GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-9.3133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TRP-083TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9600)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-052PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1316)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-053ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=1.6057)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-055ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-058TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.0705)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-075ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9115)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-077HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8367)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-111PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6055)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-136TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=2.7613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ARG-060MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ASN-052ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.7634)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ASP-081THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-19.5751)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ASP-131LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-115.5722)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048GLN-070SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9492)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-052PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4509)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-091ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-6.1672)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-099HIE-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.9555)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-174MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.7145)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-178ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-26.5421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ILE-052ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0398)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ILE-272GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9911)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ILE-279ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0331)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-070PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0557)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-070PHE-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-074TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.8112)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-074TYR-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-077GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6861)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-141PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3016)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LYS-082ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8740)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LYS-098GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-110.5393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048PHE-058PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.8458)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048PHE-101LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7195)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048PHE-105TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7595)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048VAL-093THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.2346)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048VAL-095LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048VAL-099ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7747)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ALA-092TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2565)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ARG-167GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-20.9982)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049GLU-080ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-92.6625)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ILE-059ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.3801)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ILE-070PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0056)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ILE-100VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6881)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LEU-054VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LEU-107PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6790)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LYS-121LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8957)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LYS-158ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-6.6054)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-056PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6476)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-057GLN-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.2334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-091ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1561)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-093VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.7801)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PRO-052TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049THR-053LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6858)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049TYR-054PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049TYR-098GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=3.6205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049TYR-102ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.4585)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-053THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-124GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7311)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-127LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2916)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-131VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6980)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ALA-081PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0516)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ARG-054THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-12.1556)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASN-083TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3263)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASP-053THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-18.8545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASP-067PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.5117)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASP-092TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-24.1134)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050GLN-055TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-5.7094)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050HIE-065PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.2205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050HIE-087TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-10.6243)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ILE-053ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6559)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ILE-071PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8784)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ILE-079VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.1445)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050LYS-056GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-112.0711)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PHE-071PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4797)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PRO-053TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5676)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PRO-058PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7883)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PRO-096TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.2603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050SER-066PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1704)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050THR-143THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.2781)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050TRP-054GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-6.6472)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050VAL-054THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=1.6365)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051CYS-154LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-7.9265)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051CYS-156THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=1.8400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLN-089GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-5.4307)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLN-089GLU-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-24.8245)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLN-098TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.4477)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLU-056MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4108)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLU-056MET-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.2868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051HIE-277ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-23.9780)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051ILE-068LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1195)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-055ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.9408)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-080ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-096TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.8712)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-131LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0365)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-058VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4361)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-091ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-5.6352)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-091ARG-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.8645)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-175PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2420)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051THR-152PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2373)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-093VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5396)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-095LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7070)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-097ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-7.2535)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-097ARG-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.3586)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-107PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.1607)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051VAL-071ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7304)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051VAL-104ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5340)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ASN-061ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-7.0441)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ASN-143THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=1.6830)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052GLN-069ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-10.0453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052GLN-117PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1145)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ILE-056GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2558)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ILE-087VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.0870)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ILE-100VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.2550)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-060LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-062PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5954)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-062PHE-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-070PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8980)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-141PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4082)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-152PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-056MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.9657)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-061CYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3113)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-071PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-073THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3466)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-075ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3657)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-111PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2995)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-141MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.4025)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-148ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0136)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-157ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PRO-109LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6984)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052SER-063PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1311)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052TYR-058PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7355)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052TYR-061ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-24.7491)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052TYR-116PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.8638)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052VAL-057SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3242)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ASN-063SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.3945)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ASN-131VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4312)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ASP-058TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-066LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.1508)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-069PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2572)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-075LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.2177)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-077LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7586)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053LEU-057PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0672)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053LEU-091ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053MET-140ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-6.0392)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053SER-089GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-19.7008)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-059LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5222)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-083ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-25.3773)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-092TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.5402)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-094LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0118)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-142ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3530)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-169MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.6562)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-057ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.3006)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-068PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5481)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-074ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8014)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-117PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054ASN-069PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.6017)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054ASN-141ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=1.9340)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054GLU-057ARG-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-94.1519)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054GLU-058ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-118.0481)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054GLU-141GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-13.2769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054ILE-074ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.2217)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-061LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9484)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-063PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5025)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-069VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4507)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-091LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9490)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-091LEU-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.3035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054PHE-101ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054THR-057ASP-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=1.1057)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054VAL-091ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.2363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054VAL-097ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5273)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASN-058GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-5.2807)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASN-058TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.8124)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-069ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-118.1015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-104LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-86.5473)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-105TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-10.4714)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-185ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-112.2853)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055GLN-272GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=6.0097)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055GLU-121LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1117)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-059ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8047)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-061CYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8695)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-151THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0943)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-155ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=1.0760)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055LEU-060VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8186)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055PHE-139ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055PHE-141GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6961)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055PHE-141GLN-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.8532)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055SER-071PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6276)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055SER-152PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9253)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055THR-072THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.2986)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055VAL-059ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ALA-061VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5620)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ALA-175PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8274)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ARG-061LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056HIE-287LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0574)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056HIE-287LEU-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3634)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ILE-059PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3992)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ILE-059PHE-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3610)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056LEU-069LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5149)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056LYS-160ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-109.8384)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056MET-059MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5317)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056MET-181ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9762)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056PHE-062PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4480)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056PHE-129PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9491)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056PHE-152PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2974)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056SER-076LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5664)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056TYR-062TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.7493)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056TYR-064VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.2282)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056TYR-084ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0068)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057ARG-067VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5324)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057GLU-061ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-88.7771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057MET-060MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-060LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3149)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-066ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3284)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-098VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7101)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-116PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2182)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-163ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3115)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PRO-063TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057TYR-091LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.7337)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057VAL-084ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.5735)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057VAL-084ASP-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.3119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057VAL-181ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2352)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ARG-062LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ARG-141GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-10.2724)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ASP-279LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-108.9524)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058GLN-067PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058GLN-067PHE-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058HIE-067GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7049)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058HIE-115GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.3305)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ILE-097TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9044)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LEU-071VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9417)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LEU-084LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.1987)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LEU-094GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8210)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LYS-122VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.4188)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-062ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9918)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-062TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.6232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-070TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.0401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-081PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.3984)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-101ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.4903)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-131VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6287)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TRP-084SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.5744)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TRP-180SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2016)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-062GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-062GLN-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.5782)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-062LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-8.6483)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-066VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7959)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-068ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7632)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-077ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1746)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058VAL-085ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ARG-065MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5870)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ARG-067GLN-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-23.4527)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ASN-062LYS-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-27.6020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ILE-068ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ILE-094LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6761)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LEU-117VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8979)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LEU-117VAL-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3572)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LEU-119GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7243)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LYS-063ASP-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-116.4187)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LYS-075TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-7.4233)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LYS-135ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.5111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-063ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.8847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-118THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-120TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.8895)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-127ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9443)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059THR-088TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0861)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059VAL-084LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0404)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059VAL-136TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5589)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060ALA-081LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7594)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060ASP-165ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=77.7861)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-068PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7289)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-095PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0350)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-095PHE-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0045)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-098VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5560)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-120VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2163)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-152PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1489)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060MET-070GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.6228)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060THR-087LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-18.0037)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060THR-176ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-12.8951)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060TYR-064LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2249)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060TYR-128PRO-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060VAL-063TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2251)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060VAL-157PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9423)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ALA-080ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.2501)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ARG-083GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.6743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ARG-083GLU-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-91.7489)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ARG-084LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5623)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ASN-065ASN-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.9697)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ASP-065LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-6.6689)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-080ARG-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-78.1986)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-088PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-5.0769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-142MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-8.1680)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-145LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.8418)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-064PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9079)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-086ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1991)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-089MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4638)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-091ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.1406)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-092TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4058)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-098LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8515)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-155ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.7151)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061LEU-065MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6432)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061LEU-079ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-068VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6885)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-086VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2550)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-086VAL-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8193)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-099ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.4662)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-117VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8155)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PRO-088PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4298)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061THR-081THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4208)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061THR-083GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-15.9974)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061TYR-066LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.3103)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061VAL-064TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4303)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061VAL-066VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.1948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061VAL-068ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ALA-070MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3749)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ASP-080ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-86.8045)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-110GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-6.7971)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-112PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4800)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-171PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=1.7277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-173TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.6805)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-173TYR-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.8049)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-070GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-8.0061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-072LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9877)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-073TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=3.9276)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-076ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8246)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-067ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-069TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.2470)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-105TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5756)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-107PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LEU-075ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LEU-077ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7857)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LEU-079LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6138)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LYS-067PHE-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9476)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LYS-147GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.5067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062PHE-120TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062PHE-128PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.1327)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062THR-099ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-9.9065)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062THR-102HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3707)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TRP-073ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.8664)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TRP-164PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.3253)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TRP-166PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2619)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-077PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.3809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-083GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-22.4686)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-084ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1920)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-093ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5717)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-095TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.3672)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063ASN-081THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.3693)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063GLN-067ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=12.4655)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063GLN-136TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.6313)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063GLN-165ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-9.9115)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063ILE-077LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4089)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063LEU-068HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5244)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063LEU-108LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6694)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063LEU-140LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3079)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-090GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8434)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-090GLN-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0622)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-091ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9971)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-094VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0580)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063THR-092TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5189)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-081TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=1.1210)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-085MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.5258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-098LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-136PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5956)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063VAL-067LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5829)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063VAL-154THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6488)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064GLU-111TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-072PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4713)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-084TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0975)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-084TYR-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.2389)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-090TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2123)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064PHE-097PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3859)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064PHE-123THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1074)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064PHE-125TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.1279)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064SER-171PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=1.4181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064THR-116PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8760)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-068LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-5.2812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-078PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.5469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-082VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2649)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-083LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0461)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-164PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.7790)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064VAL-073ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.2380)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064VAL-143GLN-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9403)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065ALA-070PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065ASN-110GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.4680)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065ASP-110GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-5.3253)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065GLN-088TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3466)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065LEU-077VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065LEU-080VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1448)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065MET-117PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.3025)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065PHE-095LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7630)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065PRO-101LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6558)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065PRO-111TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.0123)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065SER-068TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.3889)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065SER-108TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065THR-069ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6488)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065THR-082LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2854)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065TRP-146THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1288)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065TRP-154THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6727)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065TYR-090PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0184)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ALA-084ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4253)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ALA-136TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ARG-167GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-118.3506)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ASP-069ARG-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-93.4147)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066GLN-070ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.8698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066HIE-069GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.7076)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ILE-146VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7388)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066LEU-073PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1341)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066LEU-138THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5762)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066PHE-075LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066PHE-109SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.2842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066PRO-095TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.4132)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066TRP-109TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066TRP-110PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066VAL-085ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.0738)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067ARG-077ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.0935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067ASP-070ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.4520)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067GLN-115GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-6.0030)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067GLN-117PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.6557)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067GLU-139TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.9422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067HIE-070HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.7905)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067HIE-086GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.4663)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067LEU-078LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7990)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067LEU-107LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7449)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067LEU-109VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5869)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067PRO-095TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.5727)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067PRO-101ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6916)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067SER-073TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5257)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067THR-080TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1206)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067THR-082VAL-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9625)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067VAL-085ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=1.6259)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ARG-072THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-12.4672)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068HIE-075LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-10.6502)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068HIE-080GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=1.4582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068HIE-123ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-25.8706)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ILE-072LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.2959)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ILE-084TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9182)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ILE-091LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.1485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068LEU-081VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068LEU-146PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1767)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068MET-131LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.1675)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-076LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-076LEU-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2532)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-077ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-077VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8811)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-080LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9368)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-080VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0502)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-083LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8999)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-110LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068TYR-073ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0058)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068TYR-078ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.3431)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068TYR-082HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6914)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069ARG-075ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0578)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069ASN-119VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7722)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-076ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0425)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-076ILE-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-6.5920)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-078ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-117.2987)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-123ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=61.5651)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069HIE-075ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069HIE-078PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.0724)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069ILE-101ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.3555)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069PHE-078GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-5.9574)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069PHE-080TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.2864)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069PHE-166TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=1.6010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069THR-080LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5909)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-073TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.7077)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-086GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1844)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-086ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-114VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070ASN-080GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=7.5363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070ASP-076THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-15.1928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070GLU-073LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070GLU-073LYS-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-92.5742)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070MET-075ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070PHE-120TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.6180)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070SER-082VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8946)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070THR-120ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=5.4513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070THR-124THR-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.6902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070TRP-084VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0620)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070TRP-138LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.4629)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070TRP-174PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.3562)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071ASP-074LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.0196)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071LYS-195ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.3350)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-080ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0126)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-080LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9960)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-086ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5670)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-108ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0885)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-114SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071SER-082HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-5.6412)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-076LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2544)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-078GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.7802)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-099TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-6.3338)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-100SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.8803)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-125PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.1468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-165ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3077)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-166TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.2299)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-077ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4311)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-083ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5310)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-085ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4135)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-119VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.0009)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ARG-116ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-93.7752)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ARG-118TYR-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-6.0450)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ASN-075ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-18.5603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072HIE-093TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9883)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072HIE-095PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0757)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-077PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3823)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-082HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7906)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-116PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-116PHE-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072THR-175GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9308)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072TYR-076ARG-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072TYR-127ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4923)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072VAL-176PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7318)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ARG-076LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.3366)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ARG-119ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-102.7632)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ARG-163ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5131)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ASP-135ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-111.0209)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ASP-193VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.4296)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073GLU-077ASN-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.3696)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073GLU-119SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-19.0526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ILE-128ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0808)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073LEU-120TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9729)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073PHE-077TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.6018)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073PHE-079LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7651)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073SER-090SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5854)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073SER-178SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073TRP-089TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.2566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073VAL-111ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0933)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ALA-083TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8952)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-130TYR-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3104)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-135SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3435)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-135SER-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-12.4348)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-136GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.6499)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-147TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7445)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-147TYR-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-5.9428)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074GLN-094ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-5.8031)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074GLU-096ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-61.3126)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LEU-079TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1596)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LEU-102PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3542)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LEU-107PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.3913)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LYS-127ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6798)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074PHE-080LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.2828)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074PHE-083HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7804)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074SER-091PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7308)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074SER-111GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-20.6650)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074VAL-080TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.4017)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074VAL-083ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074VAL-190LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4499)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075GLU-079GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-12.6314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075GLU-079GLU-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=75.9800)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075ILE-080ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7746)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075ILE-112LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075LEU-094ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6030)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075LEU-111LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3563)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075LEU-111LEU-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075PHE-093PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075PHE-182ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.2081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075PHE-184PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2437)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075SER-078TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4954)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075SER-111ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-17.0025)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075TRP-176ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.4724)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-079GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-96.7735)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-120TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.6602)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-208TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-208TYR-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-5.9371)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-084LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-089TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-25.7792)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-091PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3815)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-188GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-20.4869)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076GLU-170LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.8048)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ILE-094ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076LEU-086MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.1983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076LEU-117ILE-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.0748)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076LEU-123THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076PRO-111TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9611)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076PRO-112LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.0663)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076SER-082PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076THR-090SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-5.3884)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-125ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.3276)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-125ILE-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2885)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-136TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.8143)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-139ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.1038)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-143TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-5.0964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ALA-096ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ALA-138ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4707)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ALA-138ARG-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.1888)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ASP-080ARG-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-85.2971)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077HIE-111LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0174)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-102PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-112ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-125VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1376)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-128TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0741)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-128TYR-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4909)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077LEU-093VAL-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.1467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077LYS-178VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.5703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077LYS-186ASN-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-19.4193)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-089PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.4626)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-093ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.0748)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-097LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5227)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-116PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6874)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-160VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7445)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-162PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2816)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-201ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-6.3750)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-205GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-8.7369)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078ALA-126VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5682)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078ASP-157LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-104.1946)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLN-085LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4309)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLN-088GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-20.7682)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLU-099THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.1856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLU-127GLN-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-23.5259)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078HIE-081PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6030)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078LEU-108VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.2000)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-082VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-096ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9790)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-104TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.4118)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-107ALA-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9505)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-108LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0879)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-179LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0326)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-215ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0149)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-218LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8291)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-218LEU-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.1930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PRO-115PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5289)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PRO-186ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.5780)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078SER-184PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.6753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078TYR-082PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.8658)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ARG-083ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-97.9142)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ARG-182ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-110.6771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ASP-131HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-27.6997)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ASP-135ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.9015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079PHE-089PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3693)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079PHE-100THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7676)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079PHE-104LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3775)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079SER-088ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7901)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079SER-208TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4313)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079THR-089LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079THR-089LEU-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4247)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079THR-110THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-5.2734)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-084PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.3671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-109VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8097)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-112LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7049)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-112LEU-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0803)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-146PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.4077)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-153TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7094)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-167GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=1.5413)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079VAL-087LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3445)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079VAL-094ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3757)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ARG-088PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.7768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ARG-090ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.3430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ASP-087LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-112.3720)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080GLU-092ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.2225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080GLU-155ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-119.2928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ILE-112LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080PHE-085LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0257)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080PHE-098SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5404)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080PHE-166PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9322)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080THR-090ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0989)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-088LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3013)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-090TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.0504)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-095ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0097)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-108LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.4391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-136ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4587)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TYR-129TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.9460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TYR-172GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=1.3831)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ALA-088ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8433)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASN-084LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.8264)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASN-085SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3141)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASN-100TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-5.8286)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASP-092SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-18.7891)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLN-085ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-22.4334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLU-101ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=5.7414)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLU-103GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5736)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLU-103GLN-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-13.8154)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081HIE-202PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.9082)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ILE-085ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.6754)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081LYS-105VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.1095)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-106CYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=12.9267)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-134GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5287)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-134GLU-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-8.7552)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-138ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.8773)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081SER-087PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4188)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081TYR-085ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9464)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081TYR-130VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6522)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081VAL-105TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8150)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081VAL-149HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3427)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ARG-088PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9506)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ARG-088PHE-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.4735)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-121LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5626)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-135ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9197)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-136PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5480)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-186VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9575)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082LEU-176PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7959)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082PHE-091ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.9851)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082PHE-102TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.7772)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082PHE-104VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9652)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-108LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4515)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-126SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5738)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-127PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.8166)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-130VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6803)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ASP-089HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-23.4133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ASP-105TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=3.8938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ASP-136ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-94.0081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083GLU-094TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-7.3254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083HIE-086GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-25.5215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083HIE-089ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-25.2547)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ILE-155ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7352)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ILE-173LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5124)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-087LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-088TYR-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5945)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-101GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9747)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-108VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083THR-086MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.7579)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083THR-087GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2918)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083TYR-087PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.9442)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083TYR-094TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083TYR-096ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7673)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-087LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8266)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-094PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8419)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-094PHE-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-103TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-140TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0125)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-153PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.2265)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ARG-089ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-87.5935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASN-099LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASN-103TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-8.2361)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASP-087PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.4786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASP-107ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-13.9275)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASP-126VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.4468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084CYS-090LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-10.9879)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084LEU-090LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6447)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084PRO-122PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2687)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084PRO-135PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4664)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084THR-107PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.8964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084THR-108TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8408)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084TYR-089ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.7490)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084TYR-095LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3112)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085ASN-099TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085HIE-094TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.5943)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085HIE-101TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.7543)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085ILE-089ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4913)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085ILE-103LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3472)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-094PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9932)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-108LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4883)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-137ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1574)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-138LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7959)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LYS-088GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-111.5752)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LYS-094TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.2310)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085MET-136PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0793)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085PRO-090LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9007)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085TRP-089ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.9250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085TRP-135LYS-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-7.3268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ALA-101GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7888)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ALA-104TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9423)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ALA-136PHE-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0607)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-091ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-6.1638)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-092TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-6.4307)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-112TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-10.9467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-115ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-112.0039)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086HIE-089GLU-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=14.7050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086PRO-090ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4911)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086SER-136TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.3182)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086VAL-105LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7042)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086VAL-116VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6695)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087ALA-171PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.0585)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087ALA-173TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3899)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087ASN-091LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=3.5353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087CYS-119ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=6.4897)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087CYS-121LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.2400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087GLN-139ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-6.5216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-095PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3687)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-095PHE-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1819)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-096TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0371)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-109VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4943)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-153PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.1954)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087PHE-126VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7145)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087PHE-186VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4405)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087PHE-188VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0242)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087VAL-102LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.0548)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088ASN-092ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1969)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088ILE-135LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.2720)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088ILE-135PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088LEU-108ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6123)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088PHE-092LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ARG-106ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-92.3981)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ARG-108TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-12.3193)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ARG-131VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.3116)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ASP-092PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-5.1712)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ASP-112ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-13.8352)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ASP-131VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.5177)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089CYS-105LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4158)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089GLN-117PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.9553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089GLN-125TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5554)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ILE-112TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6854)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089LEU-127VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0472)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089THR-098LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5942)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089THR-098LEU-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089TYR-094TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5376)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089TYR-153VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6057)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ALA-121PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6241)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ARG-187SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-7.9938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090GLU-119ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-101.6911)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ILE-099LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7044)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ILE-107SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1244)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ILE-190VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3910)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090LYS-122ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-5.6805)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090LYS-122ASP-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.6952)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090PRO-129TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5937)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090PRO-154VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-095ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-8.3584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-095ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-099ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8773)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-105LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7372)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-112GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=6.1294)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-113ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.3026)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091ASN-096TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-7.0469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-098SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.5628)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-118THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5923)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-118THR-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.5780)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-121LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-122ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=11.4905)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-125HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0808)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-127VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091LYS-140SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9182)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091LYS-140SER-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-16.9517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091THR-094HIE-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-6.5245)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091VAL-094ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.1734)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092ALA-164GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7280)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092LEU-095HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5167)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PHE-099TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.3278)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PHE-120VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7910)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PHE-131VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9515)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PRO-102HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4853)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PRO-133LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092TRP-100GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=22.6553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092VAL-117PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1013)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ALA-099THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7728)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ALA-164ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.4338)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ASN-096LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6313)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ASP-097THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-21.8429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093HIE-118GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.9210)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093HIE-120ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093PRO-184PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5095)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094HIE-099THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4184)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094HIE-104PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.6707)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094ILE-114TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094LEU-132VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8632)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094LEU-182MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094LYS-112ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-122.2236)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094PHE-098ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.1876)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094PHE-141ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6833)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094PRO-135MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8385)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094TYR-097THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3556)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094TYR-151VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8635)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094TYR-153VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094VAL-125TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8981)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094VAL-152LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.1492)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094VAL-166PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4281)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ASN-164ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-23.2070)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ASP-102TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=4.9565)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095GLN-098TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.8969)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095GLN-185THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9530)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095GLN-187ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-6.1226)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ILE-120TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6209)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ILE-120TRP-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9240)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ILE-144THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5813)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LEU-103ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4781)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LEU-130VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6758)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LEU-133LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6989)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LYS-107ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9307)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LYS-109THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-14.8931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LYS-127ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-6.1884)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-099LYS-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.5174)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-118ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7861)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-154ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2487)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-160VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9272)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-160VAL-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4493)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095SER-114THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1576)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095THR-182ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=1.6899)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095TRP-099LEU-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095TRP-104VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095TYR-106TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.3949)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ASP-100ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-21.7612)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ASP-101GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-22.5978)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096GLU-121LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.1749)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-101GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.2407)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-103SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-5.5731)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-126LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7425)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-127ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=12.2481)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-132VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3482)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ILE-127VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3562)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ILE-127VAL-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.1328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096TRP-110LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0398)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096VAL-105LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.1136)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096VAL-108THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7976)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ALA-105LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5943)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ALA-117HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9311)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ASN-102TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.8748)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097GLU-101ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-103.3203)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ILE-105THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9673)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097LEU-111PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1303)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097LEU-113ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=1.3927)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097LEU-128PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1778)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PHE-103ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.1524)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PHE-181TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.6644)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PHE-183ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9539)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PRO-106ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TRP-145LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4723)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TRP-173TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.8959)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TRP-213ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0512)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TYR-101TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.6370)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TYR-179LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.4701)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TYR-179LYS-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.6284)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097VAL-112TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7678)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098ILE-145ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-101VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9678)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-115SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0209)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-117ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5287)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-136PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8933)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-144VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4999)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-144VAL-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-146TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0367)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098PRO-101GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4563)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098PRO-102ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.0272)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098PRO-114PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7747)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-112PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.1132)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-127VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.0868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-138TYR-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=2.6311)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-164ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-17.5216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-101GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1534)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-105TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-152ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7501)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-286TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-287LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3665)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-102HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.3605)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-147VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7997)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-149ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5167)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-177ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-104.2867)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-216GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-87.5673)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099GLN-108GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.8687)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099GLN-148HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.2954)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ILE-103ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4066)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099LYS-104THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8414)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099MET-107ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9272)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099MET-126VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.1850)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099PRO-104TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7736)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099PRO-164PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0772)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099PRO-166GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.9677)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099TRP-118PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2260)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099TRP-272GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-24.1843)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ALA-112PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ASN-113LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ILE-103HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ILE-104LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9026)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100LEU-130VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6775)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100LEU-134ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3562)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100LEU-142LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4465)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100SER-119GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-20.5623)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100SER-131VAL-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0714)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100SER-148ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=2.1862)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100THR-104LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6017)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100TRP-103LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-11.4352)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100TRP-103LYS-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100VAL-283ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ALA-104ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.1644)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ALA-128ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6862)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ALA-138TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4611)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ARG-142LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ASN-125HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.1980)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ASP-145THR-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-18.8086)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ILE-110LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9306)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ILE-110PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5122)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ILE-123ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7164)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101LEU-111TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2713)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101LEU-125TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7158)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101LEU-132ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5623)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TRP-132VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9359)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TRP-135LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.6177)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TRP-177ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8978)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TYR-151VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4175)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101VAL-106LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9178)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101VAL-132PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3802)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101VAL-132PHE-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2879)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ALA-114PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.1259)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ASP-106SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.5314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-109TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.7353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-127GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-269HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.8204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-270TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9639)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-272GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-5.4302)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-110ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5347)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-145ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5600)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-149TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1837)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-149TYR-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0974)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-153PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7564)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102SER-165LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-8.2333)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102SER-169ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-18.0340)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102VAL-133PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8709)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ASP-149TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-22.1756)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ASP-269HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-11.0721)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLN-108PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.6696)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLU-106LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-113.2308)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLU-108TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-20.5170)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLU-177ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=81.7444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103HIE-168TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-11.1141)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ILE-110VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ILE-130VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6207)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ILE-132PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7413)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103PHE-122MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4262)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103PHE-127LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8527)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104ALA-125TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3308)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104MET-112ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104MET-133PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4130)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-107ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6947)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-129ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.2603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-147LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4463)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-166GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-21.8833)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-168LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6098)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-169PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0997)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-202PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.8873)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-205GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104VAL-108ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6544)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104VAL-112SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5624)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104VAL-126ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ALA-115GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ASN-139VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1242)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ASN-146GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.9844)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ASN-154ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=4.9875)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ILE-128LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.2388)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ILE-131ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ILE-135LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6478)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105LEU-114TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9662)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105LEU-168ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0419)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105LEU-175PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5668)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PHE-127LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PHE-130ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.8259)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PHE-130ARG-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PRO-128ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.2013)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PRO-181TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-8.1152)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105TYR-149HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.4386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106ASN-130HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=1.6145)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106ASP-133GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=5.1380)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106GLU-129LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-113.4944)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106ILE-168ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3750)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106LEU-126LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3303)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106LEU-149PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5587)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106LEU-149PHE-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9707)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106PHE-109PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.1712)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106PHE-178LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.4381)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106SER-128PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.4566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106TYR-112SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0160)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106VAL-112LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6571)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107ASP-125ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-24.1765)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107ILE-153TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9167)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107ILE-158MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0688)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107THR-125ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6470)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107THR-129LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-18.2012)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107VAL-147PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9620)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107VAL-147PHE-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8966)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108ILE-122VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6418)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108ILE-146GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4612)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108LYS-131ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4047)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108LYS-160LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.2391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108PHE-125TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7427)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108PHE-127PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108PHE-150VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9113)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108TRP-151ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.8710)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108TRP-155VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6899)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109ARG-115GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-113.2939)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109GLN-161GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4914)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109GLN-161GLU-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-13.0793)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-113ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0210)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-181ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9132)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-182VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2793)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-185VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1897)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-228TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.6159)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109SER-137ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=1.5976)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109THR-131VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1563)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109THR-158MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109VAL-164ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4025)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ALA-161PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7737)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ALA-164ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5578)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110GLU-129LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-114.6338)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-116PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0857)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-149ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1527)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-151VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0376)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-162VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9058)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110LEU-125VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4028)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110LEU-127ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3814)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-123ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.2565)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-128PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5709)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-222TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.2351)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-226LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1076)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-226LEU-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2028)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110THR-127GLN-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-5.9351)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110THR-129TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-5.4682)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111ASP-156SER-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=8.4645)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111ASP-193HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-10.2902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111HIE-218LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.3519)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-116ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8876)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-130TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2688)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-158LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4741)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-169LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111TRP-115GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.2090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111VAL-125ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ALA-128PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8616)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ALA-131VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8855)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ARG-115ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.8330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ARG-125PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ARG-127GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6255)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ASP-183GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=84.6043)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ILE-125VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.2066)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ILE-142ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0047)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112LEU-142PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1978)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112LYS-127LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9621)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112PHE-121LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4864)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112PHE-125HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3352)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TRP-119ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9700)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TRP-119ARG-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.9837)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TRP-120VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5694)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TYR-125GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.1810)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TYR-128LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9187)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TYR-190ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-8.2633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-118ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.0314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-120VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6550)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-122VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3666)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-225TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9845)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ASP-195GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-14.6018)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-131VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5160)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-164HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-185VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.1071)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-190ARG-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9814)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-232ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0312)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113LYS-117GLU-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.6993)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113LYS-170VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7655)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113LYS-173GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-123.9779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113SER-120ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4615)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-119PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.8833)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-124HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.7948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-126ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9303)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-171ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-22.2171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-178ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.2008)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TYR-124THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1229)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113VAL-120HIE-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9951)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113VAL-143PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114ALA-160ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5238)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114ASN-122ARG-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7844)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114ASP-179LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.5931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114GLU-144ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-7.8340)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114GLU-146ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-120.4921)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114LEU-118ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5097)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114LYS-225TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114VAL-167GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.0241)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115ASN-124LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0990)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115ASP-156ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=83.9705)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLN-118ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.6780)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-123PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0979)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-123PRO-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.0044)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-160GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=62.5028)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-163TYR-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.1799)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115MET-168TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7470)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115PRO-129TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.4843)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115THR-138VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115THR-142GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-19.7653)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115THR-142GLU-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-17.8516)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115VAL-122MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6755)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115VAL-123PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7741)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115VAL-130ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.5123)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116ALA-162PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1310)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116LYS-144SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-8.8646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116PHE-130VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4192)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116PHE-165VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117HIE-123PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117ILE-142PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1121)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PHE-125TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0222)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PHE-130HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3586)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PRO-126ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8577)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PRO-129TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.9638)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PRO-130LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117VAL-166ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6773)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ALA-160VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.2499)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ARG-157ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=9.1405)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ARG-185ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=62.5559)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ASP-136HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-26.1232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118GLN-121PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2481)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118GLU-173PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.4295)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118GLU-176THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7274)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-136VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-165ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3910)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-166TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1748)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-178TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0699)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118THR-121LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0355)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118VAL-162PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5358)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119ALA-160LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5609)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119CYS-168HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.4380)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119LEU-137ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.0076)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119LEU-137ALA-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4039)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119LYS-186VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6852)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119MET-144SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0326)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119PHE-124HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.5094)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119PHE-176THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119SER-123ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.8356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119SER-140TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5838)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119THR-123THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119THR-123THR-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4240)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119TYR-174ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0025)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120HIE-185ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8659)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120ILE-123TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4867)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-123ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5230)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-124ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.8680)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-124LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2431)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-135ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7413)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-171TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3956)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-171TYR-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LYS-138VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8142)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LYS-142ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-99.0013)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120PRO-126ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5200)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120SER-136HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2878)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120THR-143VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3220)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120THR-147GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-19.9364)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120TYR-141PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2625)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120VAL-123ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8145)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120VAL-154ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120VAL-275LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4593)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121ASN-132THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1368)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121GLN-144ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-22.4153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121LEU-125HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7251)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121LEU-125HIE-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7322)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121PHE-126VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121PHE-191LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7395)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121PHE-219TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5953)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121TYR-125LEU-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0333)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121VAL-157ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9060)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122ASP-125LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.9072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122LEU-188VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5113)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122MET-126GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-7.9719)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122VAL-125ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4182)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122VAL-143VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6706)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122VAL-152PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6366)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123ALA-128VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4898)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123ALA-158ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=1.7459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123ARG-127GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.8257)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123MET-140ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123SER-182ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7323)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123THR-136SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.1501)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123TYR-154VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123VAL-134LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ALA-156THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4534)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ASP-131THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=4.1719)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ASP-132THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-20.1495)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ASP-134ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-112.4424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124GLN-200ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8851)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124HIE-140GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-24.8948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124HIE-143VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5130)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124LEU-136HIE-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124LEU-181VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3894)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125GLU-192PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-5.2501)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125ILE-136TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125LEU-129LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2726)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125PHE-143VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2138)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TRP-138SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.1939)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TRP-150VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TRP-152LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9158)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TYR-164HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.9033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ALA-140GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8710)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ASN-129ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9302)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126GLU-130ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-104.6697)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ILE-136PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7694)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ILE-139PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1987)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ILE-139PHE-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.5593)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126LEU-130HIE-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0840)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126LEU-162PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126LYS-158ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6448)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126PHE-132HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4854)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126PHE-171TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.4829)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126PHE-176TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.6904)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126SER-171ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6686)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126THR-197TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127ALA-177ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.3699)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127GLU-146ARG-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-97.2783)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127GLU-269HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127GLU-269HIE-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=13.0811)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127LEU-210VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127MET-131LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3888)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-132ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-133SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-138SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6289)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-140HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.4620)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-158VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-183TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.2223)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-206ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1051)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-237ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9576)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-239PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.9622)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128ILE-131LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5732)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128LYS-183TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.4172)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128PHE-235LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128PHE-252LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128PRO-275LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128TYR-158MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.9170)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128TYR-160LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1813)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128VAL-160LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8223)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129ASN-132TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.6188)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129ASP-140HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-25.1078)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129ASP-148TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-155PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8770)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-192PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4442)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-195PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.1998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-277TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.8305)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-277TYR-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0978)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129PHE-133VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129PHE-156ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-7.1841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129PHE-166PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9915)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129TYR-133ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-8.3167)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129TYR-136TYR-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.2791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129VAL-159PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1170)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129VAL-184PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7103)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130ARG-170TYR-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.1175)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130ARG-244ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0233)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130ARG-248GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-76.6100)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130GLN-134GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-17.0233)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130GLN-137ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.2484)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130PRO-135ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0096)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130PRO-139ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5884)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130PRO-180PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0128)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130SER-149HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-8.5059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130SER-153TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-5.5998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130VAL-139ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.2132)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130VAL-162VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5692)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130VAL-185PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9882)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ALA-140HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7680)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ARG-134GLU-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-79.5726)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ASP-147PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4249)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ASP-182PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.4153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131LEU-136VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.0319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131LEU-160MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131PRO-219VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131PRO-220GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.1348)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131THR-149LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5463)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ARG-136ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.6483)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ASP-156ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-102.8429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132HIE-135LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0114)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132HIE-147ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-25.9403)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132HIE-149ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ILE-135PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8560)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ILE-138TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.0611)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ILE-146TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8787)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132LEU-198PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9105)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-162VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4666)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-174SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.8066)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-176VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2614)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-183GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9104)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132TYR-136PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.8102)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133LYS-136ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-102.9516)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133LYS-198PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3345)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133PRO-151ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-5.0697)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133SER-161GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-18.0293)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133TRP-143MET-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.4464)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133TRP-148VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.6853)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133TRP-277TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=1.2793)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133VAL-137ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.7727)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133VAL-146TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134GLU-138ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-104.3896)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134ILE-147ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.9488)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134ILE-167LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3929)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134LEU-205TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5323)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135ARG-193VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0521)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135ILE-180PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8231)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LEU-139LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1317)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LEU-163LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.2339)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LEU-179LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3120)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LYS-157GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-105.4152)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LYS-177ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9152)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PHE-147TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.9448)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PRO-140SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PRO-144LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PRO-155PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135TRP-147GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-6.0354)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135TRP-208ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0834)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136ARG-142ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.2540)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136ASP-198PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-7.0200)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136ASP-201VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.2363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136CYS-143PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136PHE-141ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7651)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136PHE-146TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0278)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136SER-144ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-14.4559)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136TRP-155CYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3450)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136TRP-165ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-22.7313)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136TRP-179MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3923)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136VAL-169LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137ARG-154TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.5879)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137ARG-154TRP-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-6.6792)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137ARG-157GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-101.1278)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137GLU-143MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-5.0730)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137SER-156ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9159)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137TYR-166SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.2422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138ARG-142GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-92.6555)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138ILE-156ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.8819)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138LEU-149PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1487)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138PHE-153PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.5456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138SER-169VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138TRP-146PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.1335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138TRP-243LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.1657)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138VAL-144ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6618)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139ASN-154SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-5.1535)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139GLU-144LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-116.3598)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139ILE-143TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2612)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139LEU-204TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2924)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139PRO-180PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3489)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139TYR-148SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140GLU-143VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.8402)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140GLU-155THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-16.9092)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140GLU-156ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-119.0816)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140LEU-168LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.1429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141GLN-160PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141LYS-144GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-111.2310)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141MET-155ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5427)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141PHE-152PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.1430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141SER-144ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-13.8700)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141SER-154ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3650)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142GLN-154GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-5.4831)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142ILE-155LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4493)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142ILE-155LEU-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6867)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142ILE-185VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142PHE-170ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8307)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-147LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-9.0688)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-148TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.7222)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-150VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.1698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-160PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.8352)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-170ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-199THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2667)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-203VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8280)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143ARG-187ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-116.0674)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143ARG-188LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=62.5178)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143GLN-147GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-23.4383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143ILE-146VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143LEU-160ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.6442)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143TRP-146LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-5.0759)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143TYR-150ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.8797)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143VAL-147LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143VAL-152PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9614)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144ARG-147GLU-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-92.4384)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144ASP-150SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-15.3613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144ILE-155THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144LYS-161GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-122.3390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144PHE-153LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0614)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144PHE-155ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6807)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='145GLN-149MET-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=3.7034)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='145LEU-149PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9229)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='145THR-149PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6112)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146ARG-207GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-118.6872)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146GLU-158SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=9.3273)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-149PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.6478)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-150LEU-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6831)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-150VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4341)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-164TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1597)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-165PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0817)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-199LYS-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7253)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146VAL-161VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6152)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146VAL-161VAL-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4814)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146VAL-165HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4647)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147ASP-171TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-25.3429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147ASP-188LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-111.1074)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147LYS-203VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5995)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147PHE-159PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.6780)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147PHE-182PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.8671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147VAL-175SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8170)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148ALA-158LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5775)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148HIE-152GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.6605)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148ILE-202VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5660)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148ILE-204ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.4086)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148PHE-164HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.6560)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148PHE-165TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.3222)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148SER-163ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8136)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148TYR-170ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2243)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-167THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2249)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-171TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.9748)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-175SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.9450)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-177ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-6.2593)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149LEU-152GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4777)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-159ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.8355)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-164PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-165PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-169VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PRO-152GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.0891)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PRO-152PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149THR-157PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9221)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149TYR-153PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.6460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150ARG-157ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-113.0404)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150ARG-208ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.2284)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-153PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8120)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-154TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-159PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1740)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-167LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4289)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-170HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0036)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-202LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-203GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.4283)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LYS-158LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5251)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='151ILE-159VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.0391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='151SER-159PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0716)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='151THR-163THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=5.3907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152ASP-156LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-5.1734)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152ASP-158LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152CYS-197VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.6488)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152LYS-156ASP-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-115.2514)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152LYS-277TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.5648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153ASP-156ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-67.1112)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153ASP-200ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-106.1597)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153LYS-203GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-115.4710)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153PHE-163LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1607)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153TRP-158MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.6817)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ARG-204ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=61.8534)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ARG-208TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-10.6439)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ILE-159GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5602)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ILE-160VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5366)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154LEU-191TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154LYS-159ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6054)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154TYR-203GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=4.9380)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154TYR-207ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.5278)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PHE-197TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5877)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PHE-277TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.9742)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PHE-284LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8299)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PRO-170TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2428)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-171ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-94.8684)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-172THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-14.4819)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-197GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-114.2005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-200TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.5665)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-200TRP-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-12.2505)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156SER-191TYR-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6915)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157ASP-202VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.2697)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157ASP-204ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-118.2055)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157ILE-160CYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3354)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157MET-181ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.2693)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157MET-192ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0196)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157PRO-161VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9697)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157VAL-167PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2104)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158ALA-193HIE-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9003)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158ALA-284LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158ILE-164LYS-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158LEU-172THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.2066)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158VAL-169VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.0853)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158VAL-205TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1677)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ALA-197TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159GLU-170LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.4047)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-172TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6024)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-199LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8100)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-200TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5030)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-203PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4347)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PHE-206ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7188)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PRO-164VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5447)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PRO-178TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.6034)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PRO-192ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0208)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159VAL-180LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0814)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160LEU-164TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5207)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160MET-169LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0962)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160PHE-169VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160PHE-203VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0026)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161ARG-285ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-86.4307)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161ARG-288ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.1413)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161ARG-292GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-119.6490)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161THR-194VAL-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.1822)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161TYR-201ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.2193)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161TYR-204ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1480)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161VAL-170LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5058)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162ALA-174ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6889)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162ALA-175TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.1980)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-198PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0438)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-201LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3819)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-203VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7385)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-208ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.0943)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-284LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3651)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162PHE-168LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9174)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162PHE-207ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162VAL-167CYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162VAL-167TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3981)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162VAL-167TYR-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0645)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ARG-201LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.2078)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ASN-166ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7150)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ASN-196ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-5.6470)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ILE-166CYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6570)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163LEU-171ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163LEU-175LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.1298)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-174ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0431)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-178TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.5671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-180LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-180LEU-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2164)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-183LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-6.3296)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-184VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1141)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-187GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=4.1966)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='164VAL-171ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8882)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='164VAL-225LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165ALA-292GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.2737)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165GLN-224MET-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9016)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165LYS-169ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-112.3020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165PHE-169VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4354)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-168ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=3.3287)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-171VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-208ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8709)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-208ILE-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165VAL-177ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5508)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='166ILE-187ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4673)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='166PRO-171VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5781)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='166PRO-172VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='167GLU-187ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-116.9775)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='167PHE-170TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.6127)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='167PRO-170VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0805)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168HIE-180GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-24.5163)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168ILE-178VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4724)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168LEU-172ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.4259)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168LEU-211ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168TYR-203ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1797)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168TYR-224MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4443)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169ASP-172SER-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-18.6710)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169LEU-181TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169LYS-172ILE-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.7968)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169LYS-291ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4682)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169MET-184VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.1267)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170ALA-175TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1711)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170HIE-174LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1850)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170LEU-178LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9867)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170LEU-186TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2980)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170THR-180GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6073)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171ASP-176THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-17.5062)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171THR-180SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-5.1391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171TYR-180PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=2.2804)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171TYR-231VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1200)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='172ASP-204TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-25.6353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='172ILE-235VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5799)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='172TYR-193VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8381)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173ARG-234ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-116.4090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173ARG-296LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=58.6733)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173CYS-269HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173CYS-270TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0537)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173LEU-190VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5499)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173PHE-176THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173TYR-211PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1226)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173TYR-213ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173TYR-245ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2457)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174ASN-178LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-24.7119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174MET-177ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174THR-205LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3794)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-203VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8219)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-205PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5966)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-270TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.2187)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-273GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7191)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-273GLU-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8660)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='175LEU-233ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3605)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='175VAL-268LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9638)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='175VAL-274ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-6.7898)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ALA-195LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ARG-182GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-114.5458)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ARG-273GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-76.2493)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ILE-198PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ILE-201ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ILE-205LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3976)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-204TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6946)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-208ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6694)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-208ALA-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5265)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-214PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4840)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176THR-180LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='177ASP-216GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=70.6019)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='177GLN-190VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='178SER-239ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-18.7631)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179ALA-225TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179ALA-238MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7376)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179ALA-250ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7716)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179LEU-239PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6787)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179TYR-216GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=4.4404)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179TYR-250PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.7928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179TYR-258TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.1733)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180ASN-219SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.7991)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180ASN-229TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.5099)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180GLU-187ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-101.2479)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180GLU-189ARG-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-105.1350)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180GLU-194ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-115.2122)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-184VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-209TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-11.1182)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-214PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5278)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-224ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8039)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181ILE-228TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181THR-195SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-5.0778)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181TRP-185GLN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9862)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181TRP-189SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181TRP-258TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.6929)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ASP-186ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-11.2180)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ILE-192ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7519)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ILE-239PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ILE-242LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5175)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182PRO-186LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182PRO-186LEU-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0735)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182PRO-189ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.9511)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-190LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-194ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8418)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-205LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.1472)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-209TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=2.1771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183TYR-186LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-14.7766)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184ASP-187ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-87.6888)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-205THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7302)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-209LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3247)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-225TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.2514)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-228VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-238MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-255TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5888)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184THR-220ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184VAL-225GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5347)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185PHE-190LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9746)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185TYR-220PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185VAL-224ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.1293)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185VAL-228TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3281)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186CYS-192PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8220)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186GLU-189LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-108.8672)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186LYS-191VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6552)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186LYS-191VAL-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186TYR-273GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=4.9927)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186VAL-208PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1592)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186VAL-223LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5381)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='187LYS-193THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5266)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='187LYS-193THR-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6532)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='188LYS-225GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-5.1727)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189THR-199LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.2502)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189THR-205PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2892)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189THR-207GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-16.5530)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189TYR-232ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4795)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='190ARG-235LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0322)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='190LYS-193GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-108.7646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='190PHE-199LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.2294)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='191LEU-219TRP-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.3113)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='191TRP-229TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='192GLN-197VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6122)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='192ILE-242LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5272)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='192SER-269ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-9.6896)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='193HIE-248MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='193HIE-301MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.8501)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194ASP-269ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-119.2949)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194ILE-205LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5741)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-198PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.7350)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-201LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7516)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-217PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5918)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-233ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7853)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-237ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4937)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-241TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.5983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195ASP-241TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=6.1304)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195LEU-205PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195LEU-237ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3493)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195LEU-269ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.4625)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195PRO-198PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.6321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-218GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=10.6836)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-221MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7667)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-249ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-249ILE-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4291)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='197TYR-201LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6949)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='197TYR-252PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.8830)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='197TYR-284LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7355)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198ASN-201LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7017)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-205PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3821)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-217PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-284LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-287LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5123)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='199LYS-207GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-108.7247)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='200TRP-204ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.1708)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='201LEU-284LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5909)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='201SER-209ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.2506)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='202TYR-212ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='202TYR-241TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0062)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='203VAL-291ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6719)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205LEU-212ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8068)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205MET-223ASP-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-5.5772)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205MET-224MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205THR-209LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6947)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='206ASP-210TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-27.5325)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='206VAL-231TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3057)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='207PRO-216VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='208ALA-214PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='209TYR-214PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='210GLU-213LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-109.6960)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='210TYR-216ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6154)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='210TYR-286TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0203)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='211ASP-214LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-114.6633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='211PRO-245ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7327)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='212ALA-221GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.3922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='212ILE-243LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7951)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='212PRO-215ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='214ILE-217PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='215ALA-282PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6770)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='217PHE-234TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0286)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='217PHE-247ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9690)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='217PHE-249TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.4667)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='218ALA-249TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.4852)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='218ALA-258TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5134)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219SER-229TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.4127)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-222TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4266)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-222TYR-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-272ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-286TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1563)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-288LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.0915)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='220ALA-256THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6995)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='220ALA-286TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0903)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-226LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-4.1657)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-230LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-111.5212)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-231TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=7.3963)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-262SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-18.3286)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-263SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-18.6992)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-265GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=81.3878)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='222ALA-249ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6013)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223ASP-286TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=4.8110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223ASP-288LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.5343)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223ASP-289SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-19.8304)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223LEU-227ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=1.2075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='224MET-229PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.3455)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='224MET-229PHE-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='225ASN-228ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.6301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='225TRP-228VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9755)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='225TRP-252GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.3004)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-233LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.2853)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-247VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0691)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-294TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.3090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-294TYR-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4417)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LYS-262SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-17.7774)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='227HIE-255SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.4576)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='227HIE-256LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.1646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='227HIE-289SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9578)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='228ARG-232GLU-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-91.9024)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='228VAL-254THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='232PRO-290LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6476)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234ASN-237ASN-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4556)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-260LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8450)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-262VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4246)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-286TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9687)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-286TRP-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.3382)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='235VAL-294ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5722)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236ILE-258LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4014)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236ILE-260ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8781)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236PHE-262VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.8419)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236PHE-279ILE-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236PHE-282GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0358)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237ILE-267ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5044)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237ILE-269ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.4863)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237TRP-246PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.9453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237TRP-249ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5161)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237TRP-263ASP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='238MET-247PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9929)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='238MET-255TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.1143)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='239ASP-244THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-3.6761)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='239ASP-271PRO-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-12.2439)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='240ASP-270SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-18.0565)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='240PRO-268LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='241ARG-272GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-92.1743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='243LEU-269HIE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3688)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='244SER-294TYR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.4357)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='245ILE-250ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7031)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='245PRO-248GLU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.2427)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='248MET-298ARG-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8664)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-269MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6078)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-276ILE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.3224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-297PHE-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.5047)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-300LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.7081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='250ILE-255TRP-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7923)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='250ILE-255TRP-2', method='SCMICCSDBF12', mode='CP', basis='adz', value=-2.0985)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='251LEU-269MET-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.3025)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='252PRO-258ALA-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.5018)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='253ALA-261THR-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=0.9101)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='253ALA-302SER-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9765)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='255TRP-261VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.7238)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='258LEU-261VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6861)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='261VAL-266VAL-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.2024)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='264ILE-271LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.6665)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='270SER-283LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.8685)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='273PRO-283LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0449)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='274ILE-279LYS-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-0.9106)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='275ASN-278LEU-1', method='SCMICCSDBF12', mode='CP', basis='adz', value=-1.0602)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-005ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-61.6663)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-013ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=63.3203)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-015GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-80.6337)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-159VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.8974)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ASN-026VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7174)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ASN-030MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=1.0184)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ASN-097GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-16.7761)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001HIE-099GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6180)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LEU-071LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7017)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LEU-154LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5483)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LEU-190THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4855)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LYS-027ASN-2', method='CCSDTBF12', mode='CP', basis='adz', value=21.2460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LYS-027THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6947)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LYS-027THR-2', method='CCSDTBF12', mode='CP', basis='adz', value=1.4826)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-005GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.2308)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-027VAL-2', method='CCSDTBF12', mode='CP', basis='adz', value=3.0166)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-031VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=2.5760)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-047GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-5.0738)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001PRO-046ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.0997)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001SER-030GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.1433)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ALA-101ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ARG-006GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-90.6653)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ARG-020PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.2195)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ARG-046LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.2530)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ASN-022GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-21.2480)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ASN-026ASP-2', method='CCSDTBF12', mode='CP', basis='adz', value=-8.4304)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ASP-145HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-6.6651)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-005GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7688)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-006GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0506)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-153PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6287)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-163LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5058)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-006GLU-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9104)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-007ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-035GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-110.3941)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-075ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-22.6906)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-080ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8750)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-082TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-8.4390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002MET-031TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8834)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002MET-050ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9409)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002TRP-012VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7145)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002TRP-138SER-2', method='CCSDTBF12', mode='CP', basis='adz', value=-5.8048)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002TRP-139LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-009TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5685)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-042PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9499)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-042PHE-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5691)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-043HIE-2', method='CCSDTBF12', mode='CP', basis='adz', value=-2.1798)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-046SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3371)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ALA-007THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9206)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003GLU-006GLN-2', method='CCSDTBF12', mode='CP', basis='adz', value=4.4330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ILE-062ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.1119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ILE-065SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.3309)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ILE-067TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4562)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003LEU-033LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6173)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003LEU-054LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6203)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003LYS-055LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003PRO-025ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1732)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003SER-096ASN-2', method='CCSDTBF12', mode='CP', basis='adz', value=0.1298)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003THR-181VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0772)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003THR-182GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.4816)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TRP-163PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.0557)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TRP-167GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5932)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TRP-167GLN-2', method='CCSDTBF12', mode='CP', basis='adz', value=-2.4697)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-028VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2549)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-028VAL-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6058)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-030GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.6041)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-054VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1555)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-056ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6398)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-073CYS-2', method='CCSDTBF12', mode='CP', basis='adz', value=-2.9796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-074SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6978)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-096HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.0871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-009TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-012GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.6947)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-036PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2507)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-064TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9774)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-081THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-083PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-118ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-121TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-024THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-15.3216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-057ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-057ILE-2', method='CCSDTBF12', mode='CP', basis='adz', value=0.0251)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-095TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5408)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-095TYR-2', method='CCSDTBF12', mode='CP', basis='adz', value=-6.1159)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ASN-009TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.8159)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ASP-043THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-16.5198)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ASP-194ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-102.6976)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004GLN-007ASN-2', method='CCSDTBF12', mode='CP', basis='adz', value=-3.5371)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004GLN-056GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-7.2483)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004GLU-039THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-16.3587)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-010TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-031TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2423)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-032HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1057)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-040GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.7829)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-179LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6655)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-180LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.1321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-180LEU-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9004)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-183LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4942)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LYS-030ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.2852)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LYS-031ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8202)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LYS-323PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2867)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-116VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0502)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-135LEU-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.8422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-158LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-160PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7722)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-007LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0283)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-009TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.5173)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-026TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.4785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-029PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.2599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-068VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5724)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-074ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0596)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-094LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1508)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-096TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.4716)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004SER-027VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5917)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004SER-030MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5695)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-078LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5058)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-132LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-12.7910)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-163LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3615)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-164GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-15.8624)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TRP-014ARG-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5371)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TRP-016LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.4845)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TYR-075PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4095)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TYR-105LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3493)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004VAL-053LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.2073)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ALA-019PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5900)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ARG-012GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-106.9258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ARG-071GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-95.7763)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ARG-158LEU-2', method='CCSDTBF12', mode='CP', basis='adz', value=-2.1478)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ASP-103GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-12.6271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ASP-128ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-100.8112)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ILE-054SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1810)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ILE-234TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9243)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ILE-277LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3112)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-010TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-011PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.2563)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-015LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.8853)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-023GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8173)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-025ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-025LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5506)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-030ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.1978)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-030LEU-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8641)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-032MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7031)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-037ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6002)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-068ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6881)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-077LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4565)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-083HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1878)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-106TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.8683)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-191TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0156)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-022VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6565)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-031TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3607)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-037PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6074)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-043TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.2570)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-049LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9792)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-050TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.8765)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-155SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7263)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-162GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-163LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PRO-196ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1226)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005SER-028VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5821)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005TYR-166TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.2598)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005TYR-168VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6742)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-008GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4037)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-023LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4038)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-035PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3476)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-037ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3273)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-039SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.1580)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ALA-078GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6186)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ARG-090TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.9542)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ASP-010THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=6.0884)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ASP-116VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5128)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006GLU-010TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.7002)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-108PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7764)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-126VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-319TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5272)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-323PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0048)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-018ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-6.7797)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-039THR-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6669)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-050VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-053LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-061PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.2719)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-163LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006THR-097VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6000)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006TRP-026TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006TRP-038VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9733)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006TRP-040LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9978)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-020VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7478)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-023MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5727)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-024ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-026LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-038ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.2130)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-053LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6306)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-055GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.1939)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-175PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.7862)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ALA-011ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9524)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ALA-021PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9481)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ALA-049VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.2742)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ARG-011GLU-2', method='CCSDTBF12', mode='CP', basis='adz', value=-102.8536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ARG-062TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ARG-063PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.7103)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASN-109GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-19.1108)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASP-011GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=7.1852)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASP-119SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-5.6779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASP-131ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-111.0877)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007GLU-033LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.6660)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007GLU-033LYS-2', method='CCSDTBF12', mode='CP', basis='adz', value=-100.0587)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-015LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8810)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-030LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-030LEU-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4506)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-038TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6992)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-042LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.0730)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-097VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-017ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7465)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-026VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.2996)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-033LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-090TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2944)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-096TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1093)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-168HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6573)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LYS-011ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-113.0197)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LYS-093SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LYS-099THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6722)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-019VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6906)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-021PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.8187)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-021PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6055)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-022VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3355)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-024VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.0961)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-035PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3054)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-084LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7548)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-091ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-111PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1095)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-157ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7192)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-160CYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8719)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007SER-010ARG-2', method='CCSDTBF12', mode='CP', basis='adz', value=-8.3528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007SER-100ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.5634)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007THR-031LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.1836)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007TYR-053TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.1051)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-022SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.9497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-026GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4491)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-034ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-038VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6704)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-040THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3992)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-154GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6221)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-154GLN-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1113)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-191TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-248MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6221)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ALA-034ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.2853)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ALA-035GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.9007)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ALA-038MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5862)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ARG-115SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-14.8810)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASN-030LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-25.1707)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASP-018ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.7846)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASP-018ARG-2', method='CCSDTBF12', mode='CP', basis='adz', value=-111.3079)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASP-058ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3884)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-012HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7287)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-015TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1114)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-032MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5731)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-033PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1327)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-034LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.2028)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-035TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2794)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-041TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0416)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-058PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.3020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-062TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LEU-017ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LEU-088TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2874)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-043THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-14.2446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-065VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5336)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-068GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.0935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-068GLU-2', method='CCSDTBF12', mode='CP', basis='adz', value=-106.2623)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008MET-158LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.2314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-042LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8323)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-044ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0706)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-097VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7918)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-099HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.3113)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-101HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.7754)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PRO-183ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-13.1651)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008SER-032SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-5.3958)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008SER-093TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2287)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TRP-035PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.4014)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TRP-250PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.1672)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TRP-252GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-20.2051)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TYR-052TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.8426)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-039TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-041VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-066LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.1274)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-072SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.2688)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-080PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1772)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ALA-084LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4872)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ALA-091ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.1631)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-023GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-95.9776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-031TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-11.8642)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-092LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.3599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-103GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=5.2137)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-106ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-89.5380)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-128ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.5133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-128ARG-2', method='CCSDTBF12', mode='CP', basis='adz', value=59.7456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ASN-024ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=9.2767)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ASP-021LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.5972)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009GLN-068ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9784)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009GLN-072ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.5190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-013TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0399)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-038LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3716)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-052PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-092LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8212)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-092LEU-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-105LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-108PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-155ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4337)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-013VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-033LEU-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4747)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-039ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-041VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6719)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-041VAL-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3624)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-055SER-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7676)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-058ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7420)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LYS-137LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.4357)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LYS-171VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8101)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009PRO-069TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0088)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TRP-111ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-11.2522)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-016GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=4.1472)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-029THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0626)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-033ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.6201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-035SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3327)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-050PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.3787)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-053TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.6884)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-111ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-23.1782)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-121TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.8933)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-158ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.1221)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-301MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6937)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-303TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.6015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-021PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.8812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-025ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4197)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-035ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5967)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-084ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3622)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-086TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3982)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ARG-039ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-100.8151)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ARG-042ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-90.7064)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ARG-092LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASN-014GLN-2', method='CCSDTBF12', mode='CP', basis='adz', value=-5.8210)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASN-023GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-23.3267)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASN-088TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.7079)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASP-090TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-25.3651)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLN-022MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0108)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLN-102TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.6660)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLU-014LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-67.9995)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLU-032SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=10.2469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010HIE-015TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0820)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010HIE-023ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010LEU-091ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010LEU-096TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8709)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010LEU-132ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8554)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010PHE-028ILE-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5503)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-022LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.2827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-025VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2114)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-032ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4384)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-032PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.8568)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-034VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0183)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-052TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3355)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-058PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.8370)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-081VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.4908)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-081VAL-2', method='CCSDTBF12', mode='CP', basis='adz', value=-2.4983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-017GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=3.4047)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-049PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.3610)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-052TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.1539)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-163TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4591)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-027ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6063)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-028LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6158)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-034TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-040PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-044ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3093)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ALA-016GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8441)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ASP-091ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-18.1914)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011CYS-042VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011CYS-042VAL-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7758)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011GLU-062TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=2.8660)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011GLU-100THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-8.8056)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011HIE-015ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=2.1224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011HIE-304SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=1.3335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011HIE-306ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.9894)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-017LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-018ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5427)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-024ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5879)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-024ILE-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-028LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.1909)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-037LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.0480)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-038TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-042LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-045VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-062HIE-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8773)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-069TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9235)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-071GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0985)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-102TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7552)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-102TYR-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6619)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011PHE-044TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011PRO-020ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3032)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011SER-223GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-18.6537)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011THR-017ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4135)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011THR-166GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.3890)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011THR-166GLU-2', method='CCSDTBF12', mode='CP', basis='adz', value=-16.6786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-018ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-8.1119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-023ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-8.0085)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-051GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-10.5009)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-102GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.8473)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-169ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-144PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1044)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-153LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4427)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-153LYS-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6492)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-155ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.1276)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-055PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6064)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-059PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-108PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9265)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-139ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASN-048PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4741)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASP-024LYS-2', method='CCSDTBF12', mode='CP', basis='adz', value=-77.4084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASP-026TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-7.5790)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASP-069TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=3.4658)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLN-034GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-6.9517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLN-044TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3710)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLN-048TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7158)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-017GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9307)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-019THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-17.2633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-068HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=12.0840)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-070TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-5.3238)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012HIE-015ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3750)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012HIE-033LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8295)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-016THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-018LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4299)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-028LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.1888)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-044ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8898)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-046LYS-2', method='CCSDTBF12', mode='CP', basis='adz', value=0.0576)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-046VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-024VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-027PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2283)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-033LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.1756)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-035TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-039ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6958)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-047ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3949)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-057LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4275)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-062HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7440)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-064LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7619)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-065LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6276)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-070MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-074VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.0990)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-083ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1203)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-085ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7770)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-088TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-026PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.9123)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-040PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5239)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-116PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3990)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-163ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7450)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-166CYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1337)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012SER-138SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.7480)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012SER-166PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6577)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012TYR-087PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.2484)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-016LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3097)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-023LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3192)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-088PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-114PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0146)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-146PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ALA-096TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.4367)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ASN-149ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-7.5361)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ASP-016GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=62.9078)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ASP-023ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-117.9373)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-039ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-91.6890)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-052ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7089)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-056GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-22.3695)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-065LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.4351)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-069ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-115.8282)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013HIE-032ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4373)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013HIE-095HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.6444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013HIE-121TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-10.8534)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ILE-017LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7368)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ILE-105ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4231)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-017ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.2717)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-063ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-065PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.8440)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-066ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4555)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-069LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6711)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-077LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.2220)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-082VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-084ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5089)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-036VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-060TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.2545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-062LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5222)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-063PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7034)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-083ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9908)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-085ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PRO-032VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.0369)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PRO-034GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PRO-129THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9993)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013SER-047TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013THR-164GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.0067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013TYR-075LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.8668)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013TYR-075LEU-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5138)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-016PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6202)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-066LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7628)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-154ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2261)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-154ASN-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1645)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ALA-055LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5000)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ARG-083THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=2.7698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASN-027ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1440)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASN-061LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-24.7838)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASN-137TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.5541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASP-017ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-81.0574)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLN-093VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4180)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLU-036LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-121.5461)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLU-069ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.6678)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLU-164TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-26.8568)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014HIE-043TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-025TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7438)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-027ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3249)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-081PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1649)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-085ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4764)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-088MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8851)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-061GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4420)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-070TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7600)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-163ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6003)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-174PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LYS-023GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-125.0604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014SER-017GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-15.8322)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014SER-084GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.6812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-019GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.3627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-021PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6638)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-022LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5283)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-022LYS-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.9075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-082PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.8552)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014VAL-091ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ARG-020ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-100.0301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ARG-164ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5247)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-019THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.9380)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-048GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-7.1495)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-069ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.1486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-149PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6882)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015CYS-057LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1253)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015GLU-019LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-106.5699)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-019PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4325)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-023LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3767)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-030LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-034LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-035ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6642)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-136HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5452)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-035TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9051)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-038LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4726)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-080PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6512)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-084TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2932)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-102SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.3685)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-047TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6170)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-047TYR-2', method='CCSDTBF12', mode='CP', basis='adz', value=-13.2622)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-220ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-107.7443)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-223GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.4539)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015MET-023LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8982)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015MET-023LEU-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8895)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015PHE-039ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8478)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015PHE-044LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4780)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015SER-018THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.1510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015SER-037LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5737)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-019ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6164)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-021MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8815)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-060HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-8.7766)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-061GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-5.4154)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015TRP-025THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015TRP-096TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.9514)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015TYR-034ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.8969)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015VAL-060TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9669)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ARG-047PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.3366)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLN-048ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7044)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLN-098LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLN-101GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.2785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLU-035TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.9303)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ILE-021VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ILE-145LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4265)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ILE-219PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7802)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-036LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.2093)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-046ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.2552)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-062LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.1235)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-065LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5140)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-072PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3370)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-082SER-2', method='CCSDTBF12', mode='CP', basis='adz', value=0.4352)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-137ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-141MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7877)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LYS-085GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-106.1166)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-034VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7738)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-036VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6883)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-132ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8745)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-176PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.7451)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-192LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.1127)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016SER-031ASN-2', method='CCSDTBF12', mode='CP', basis='adz', value=-5.2373)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016THR-022MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016TYR-079ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5807)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-033THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.2796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-055PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8113)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-059PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4116)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-084ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ARG-056HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-8.7259)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASN-021LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-19.4922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASN-029ASN-2', method='CCSDTBF12', mode='CP', basis='adz', value=-6.6928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASP-049ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-77.0640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASP-060HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-7.8228)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLN-024ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-8.2012)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLN-093VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.3294)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLN-094ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-25.1616)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLU-036TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.5589)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLU-072PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.8611)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017HIE-033ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-20.1645)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017HIE-035TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-6.0329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-021LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-028LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6764)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-028LEU-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3188)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-030PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8562)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-055HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.8864)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-149PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.4904)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-050ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3873)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-056PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-066LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.3581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-083ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017MET-020LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3540)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-022SER-2', method='CCSDTBF12', mode='CP', basis='adz', value=-3.1428)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-025TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7255)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-077ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-7.5940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-081PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.5210)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-084LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4285)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017THR-078GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-14.5906)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017THR-307TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7474)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017VAL-049LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ALA-023VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3367)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ALA-026GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.9002)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ALA-027VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ARG-057THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ASN-227ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0267)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ASP-032THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-19.9065)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ASP-034ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.2007)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018CYS-132HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.8942)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018GLU-074ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.9794)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-022GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3118)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-052VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4701)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-055ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3883)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-055PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0694)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018LEU-039ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=1.7550)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018LYS-024TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.4861)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-060HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7245)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-085GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4858)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-086VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-139LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018SER-024LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.2849)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018SER-040GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-18.0068)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018THR-035ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4376)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018VAL-034ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018VAL-164TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5535)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018VAL-166ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7568)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ALA-055HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5031)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ALA-058TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3007)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ARG-027ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=59.9601)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ASN-053VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019GLN-026GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0278)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019GLU-022LYS-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9577)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019GLU-025THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-17.1925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ILE-051VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6417)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-037ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-041VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-061ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5876)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-062LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-062LEU-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LYS-027VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5882)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LYS-031HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LYS-071GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-116.9687)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019PHE-049LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019SER-023ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.0163)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019SER-023ARG-2', method='CCSDTBF12', mode='CP', basis='adz', value=-5.9766)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019SER-026ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-14.3071)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019THR-022MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019THR-035GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9152)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019THR-035GLU-2', method='CCSDTBF12', mode='CP', basis='adz', value=-2.7998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019TYR-050TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.8098)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-027ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6644)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-058VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.0740)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-075LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-081LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-137ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.2475)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-138VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.0041)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-138VAL-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ASN-039LYS-2', method='CCSDTBF12', mode='CP', basis='adz', value=-25.3682)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ASN-040LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-24.1519)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ASP-082LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-79.8229)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020GLN-036TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.9271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020GLN-059ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.2451)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020HIE-062ASP-2', method='CCSDTBF12', mode='CP', basis='adz', value=10.1118)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020HIE-068LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.2710)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-023VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3146)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-032THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6137)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-082ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4312)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-309ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LEU-024VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8759)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LEU-038ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.2738)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LEU-042VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=1.1644)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LYS-040GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-121.8930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PHE-135PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.3326)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PHE-149LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-023ARG-2', method='CCSDTBF12', mode='CP', basis='adz', value=0.8729)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-177PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-178LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8230)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-181ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.0802)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020SER-058VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.0626)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020SER-091ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6036)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020VAL-029TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8691)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ALA-039TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ALA-057VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ALA-100ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1531)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ARG-033THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6139)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ARG-035GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.4637)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ARG-035GLU-2', method='CCSDTBF12', mode='CP', basis='adz', value=-91.7635)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021GLN-024LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-22.7328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021GLN-024LYS-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3519)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021GLN-057TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.9478)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021HIE-061PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.2353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-031HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5198)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-036VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5903)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-038VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1274)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-041PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4606)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-077LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.0163)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-088ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7373)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021LYS-032TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-11.4977)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021LYS-039ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7324)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021MET-058TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.8385)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021MET-062GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021MET-069ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1806)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-025GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.2000)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-038VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6290)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-054ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8337)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-060PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.8805)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-072PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.7991)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-072THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-076VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1715)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-079ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0632)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-082PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.7617)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-097LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-097LEU-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7068)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-113ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.0615)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-131VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9682)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-251HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.1178)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-260ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0942)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021SER-142ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.8652)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021THR-148GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.1298)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021THR-150LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7683)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021TYR-088PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.5212)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ARG-072GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-106.1525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ARG-073GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-88.1055)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-028GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=2.5038)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-046MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.9160)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-055ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=8.6717)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-058GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.8808)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-147TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-5.4541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ILE-072HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0892)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ILE-074ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=1.7363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-057THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8068)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-058PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-062ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7113)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-065LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5781)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-081LYS-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7694)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LYS-086ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7336)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022MET-041VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6772)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-027ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0717)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-031ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4754)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-039TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.9439)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-040ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5097)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-041PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-064VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0165)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-069VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2004)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-069VAL-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5495)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-099ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-166ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1978)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-168TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.7599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022SER-121LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6731)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-026THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6934)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-039TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.2016)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-040TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.4650)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-043ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-055LEU-2', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0804)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-059VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2503)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022VAL-067LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4674)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022VAL-079TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022VAL-079TYR-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1396)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ASP-027ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-106.1013)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ASP-042ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-120.9863)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ASP-057ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-115.5522)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLN-177PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.9177)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLN-217THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-6.2129)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLU-028LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.1965)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLU-046LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-110.3747)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ILE-060PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-035PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9361)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-035PHE-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8969)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-036ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9795)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-055ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-097LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5631)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-029GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-80.2371)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-029GLU-2', method='CCSDTBF12', mode='CP', basis='adz', value=-4.4184)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-064TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-7.6810)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-064TYR-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4445)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023MET-038ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9237)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023SER-051ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=1.7473)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023THR-085ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.2908)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023TYR-026LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7290)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023TYR-031TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.6753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023VAL-041ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.1637)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023VAL-055LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7278)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ALA-034ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ARG-073ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-16.3582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ARG-076GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-109.3779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-027ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-24.9275)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-027LEU-2', method='CCSDTBF12', mode='CP', basis='adz', value=-2.3269)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-029ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-034TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.2380)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-056PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0198)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-058TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.6369)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASP-065HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-26.6362)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024CYS-100ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.6280)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-040HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-25.2013)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-041LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9645)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-050ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.5272)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-054ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-105.2914)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ILE-055TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9024)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-028GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-028GLU-2', method='CCSDTBF12', mode='CP', basis='adz', value=-2.4402)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-029GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-031LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-032VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4996)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-054VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-260ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1855)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-261ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LYS-057TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1089)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LYS-069TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.1370)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LYS-069TYR-2', method='CCSDTBF12', mode='CP', basis='adz', value=-9.4689)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-089LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.0864)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-089THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-099TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.1848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-100SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9559)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-130LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4412)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024SER-038THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=3.9326)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024THR-041GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.8999)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-032HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1958)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-049ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5499)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-054PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9136)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-079PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.1600)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-142VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4182)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-143GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3161)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ALA-035TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8692)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ALA-037ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6830)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ASN-181ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-7.5308)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ASN-183THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-5.7957)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-029LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-036THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=1.0633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-039TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.3017)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-260ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6730)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-274ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0135)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-028VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5154)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-036VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-056LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3088)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-059ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0219)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-084ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.1226)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-084ILE-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3797)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-090ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5048)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-091VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4240)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-055VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-060PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-075ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7371)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-075ILE-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5027)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025SER-035ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.2840)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025SER-075ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=4.1747)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025SER-100ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2829)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025THR-045THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.5784)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025THR-100TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3089)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025THR-103LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-17.1050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-038MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7668)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-135ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1381)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-144LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9588)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-146PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.5540)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-152GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-22.0858)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TYR-080ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.4557)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TYR-081PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0521)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TYR-084LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5347)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-029TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-057VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6235)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-069ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7479)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-083GLU-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5647)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-185ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASN-054ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-7.5746)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASN-055ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1700)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASN-058GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-15.7204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASP-042PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3821)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASP-077PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.6633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLN-065HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8719)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLN-065HIE-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0949)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLU-042HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=13.0712)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLU-057TYR-2', method='CCSDTBF12', mode='CP', basis='adz', value=-24.9647)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLU-059ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-99.1388)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ILE-037TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1365)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ILE-078ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3565)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-037PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-039ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7817)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-040GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.9760)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-041VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1007)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-135ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7592)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-029PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.5418)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-099ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-103HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.9899)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-168TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4598)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-030TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0109)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-036PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.8255)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-118ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1615)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-217THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.2252)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026THR-031LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4123)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026TYR-062ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9750)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026TYR-069TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.8791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026VAL-041GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.3752)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026VAL-041GLU-2', method='CCSDTBF12', mode='CP', basis='adz', value=-2.1584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ALA-074LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8182)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ALA-102ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3315)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ARG-049GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-96.6850)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ARG-055THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.3032)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ARG-094ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-97.3758)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ILE-039THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6120)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ILE-046PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ILE-075LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027LYS-089LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7332)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-030ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4875)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-057VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0700)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-069SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0433)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-071VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9143)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-078GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.6080)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PRO-032MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0145)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027SER-034ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6647)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027THR-036SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-5.5349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-070TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.4883)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-085ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4984)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-086TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3924)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-088ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.0440)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-090THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4548)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ALA-038VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.1607)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ALA-041VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.2615)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ARG-031GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-17.5452)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028GLU-072HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-24.6296)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028GLU-097LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-114.1839)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-036LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5086)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-091VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4666)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-106VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.8156)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-151VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-037VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7299)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-055LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.2429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-058ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8616)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-059ARG-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7678)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-061GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-133PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6952)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LYS-067TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.6138)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LYS-317ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-21.0915)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028MET-031ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.0148)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028MET-037ARG-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7895)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028MET-040HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.4774)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028PRO-058LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7396)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028PRO-111LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0376)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028SER-055THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.6933)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028SER-056GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.7947)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-031THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=2.3801)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-036MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=1.6401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-038VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6161)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-058PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.3911)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-085GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4651)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-086ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.2415)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-105PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7590)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-128PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.2342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-170LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.0797)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ALA-274ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6635)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ASN-034LYS-2', method='CCSDTBF12', mode='CP', basis='adz', value=-27.1550)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ASN-179SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.1780)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ASP-070ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=81.8290)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029GLN-033ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=5.1190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029GLU-045LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.3658)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029GLU-055SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-18.8329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-034VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5237)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-036PHE-2', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0956)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-040GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7145)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-045GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2065)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-095TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4548)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LYS-035GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.6131)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-094LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9559)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-101TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5800)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-103HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5408)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-168TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.2052)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-177ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PRO-085GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-10.8125)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029THR-121TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5823)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029THR-121TYR-2', method='CCSDTBF12', mode='CP', basis='adz', value=-4.5049)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-302SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9971)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-305ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.6968)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-308ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-8.8856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-315PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0653)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TYR-049GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.3425)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029VAL-036VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5106)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029VAL-054LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.2611)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029VAL-087LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.0271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ALA-274ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8306)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ASP-320ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-101.2862)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLN-034TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.8079)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLN-034TRP-2', method='CCSDTBF12', mode='CP', basis='adz', value=-3.4775)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLN-036MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.1307)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-033GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-16.0491)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-034ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=67.3668)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-038PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1866)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-042PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9376)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-049PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-5.4629)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-061LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-115.1572)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ILE-034LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5950)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ILE-055ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=1.3204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ILE-093TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1375)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LEU-034LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5829)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-078TYR-2', method='CCSDTBF12', mode='CP', basis='adz', value=-7.1893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-083GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-119.0540)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-085GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.7171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-169THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-16.1676)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-042LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8266)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-044ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8923)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-061GLU-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3392)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-151ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.6244)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PRO-057MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.2420)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030SER-109GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-17.7907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030THR-121LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.9656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-033THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4889)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-036PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.3577)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-042GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-20.8229)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-046LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.8723)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-073PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-079LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-103PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.6448)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-171THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8123)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-176SER-2', method='CCSDTBF12', mode='CP', basis='adz', value=-5.8309)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-212GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-17.9855)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-213GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-5.0032)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-216SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2269)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-217THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030VAL-033VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.0409)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030VAL-044LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5234)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030VAL-050ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ALA-088VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3280)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ASP-034HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=19.9855)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-035LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9737)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-037SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-5.8519)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-109LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-125LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9846)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-128GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-15.4233)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ILE-034ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5639)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ILE-097TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1532)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ILE-246ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.1399)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-091LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3694)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-125LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5829)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-168LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6903)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-213GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.6066)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-060THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-061ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1427)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-062HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-076ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5716)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-092TRP-2', method='CCSDTBF12', mode='CP', basis='adz', value=-2.8535)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-095TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.4691)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PRO-097VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4047)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031THR-085GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-17.1710)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031THR-128PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6404)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-060ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-23.5476)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-164VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.9370)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-168GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.4736)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-168GLN-2', method='CCSDTBF12', mode='CP', basis='adz', value=-3.3403)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-171ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3451)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TYR-037PHE-2', method='CCSDTBF12', mode='CP', basis='adz', value=-3.0131)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TYR-048HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.5127)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TYR-051GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.5206)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-056PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8954)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-068LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-071VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6487)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-073VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5970)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-077ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032ASP-040HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.7965)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLN-116ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-21.2668)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLU-035ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-115.0645)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLU-169THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.3924)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLU-169THR-2', method='CCSDTBF12', mode='CP', basis='adz', value=-17.0652)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032ILE-036GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032ILE-065LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.8168)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-080GLU-2', method='CCSDTBF12', mode='CP', basis='adz', value=-107.5885)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-083LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9093)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-091LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.6670)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-091LEU-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5721)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032PHE-058ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.2935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032PHE-081VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032PHE-095LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032SER-057GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-16.2895)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032THR-093LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7255)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032THR-094LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9177)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032THR-128LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3682)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-062ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7962)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-073PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.2040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-074VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9414)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-083ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-7.6695)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-042ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.4749)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-052VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-056HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8652)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-068LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4867)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-080ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.2921)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-100VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.2682)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ARG-189PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.2726)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ARG-191LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7535)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ARG-191LEU-2', method='CCSDTBF12', mode='CP', basis='adz', value=-2.2342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ASP-276SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-17.5749)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ASP-279LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-122.0362)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ASP-279LYS-2', method='CCSDTBF12', mode='CP', basis='adz', value=-3.7650)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033CYS-047TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.3972)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033GLN-092ASN-2', method='CCSDTBF12', mode='CP', basis='adz', value=-7.9517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033GLU-036ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-116.9206)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033HIE-060MET-2', method='CCSDTBF12', mode='CP', basis='adz', value=-2.3657)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033HIE-062THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=4.6062)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ILE-037ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.9662)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ILE-061VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6621)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-053VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7195)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-059ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8672)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-061PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0106)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-089ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7304)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033PHE-058PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1260)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033THR-100GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.0063)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-062HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0000)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-091ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-8.2717)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-094ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7023)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-094ILE-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4332)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033VAL-048ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033VAL-055VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3096)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033VAL-091ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6471)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ALA-133LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9055)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ALA-152GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.1093)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ARG-060TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-15.8345)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ARG-064LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.8423)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASN-076SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6309)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASN-078TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.2229)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASP-037PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.9359)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASP-061ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-82.1705)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034HIE-057HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ILE-037TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4426)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LEU-038TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2253)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LEU-044TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5054)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-068GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-108.6861)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-070TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0959)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-070TRP-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0755)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-086TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6281)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-086TYR-2', method='CCSDTBF12', mode='CP', basis='adz', value=-6.8090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-045TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.8108)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-058CYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.9380)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-062HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9519)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-069MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.2084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-072LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9295)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-100VAL-2', method='CCSDTBF12', mode='CP', basis='adz', value=-2.4295)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PRO-065ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7815)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PRO-075PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4457)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034SER-105LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5546)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TRP-037TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.1459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-136ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-143MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.0655)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-148VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6053)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-277TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.5083)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-046LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-048PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7022)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-072VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4309)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-077LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3019)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-111LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9331)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ALA-065LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8324)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ALA-067ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.2488)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ARG-041THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-13.1649)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ARG-042VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7961)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ASN-172GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-10.6019)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ASN-174TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2586)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ASP-046ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-98.8322)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035CYS-038CYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=2.5982)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035CYS-154THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.5018)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035GLU-189PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035HIE-059ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035HIE-059ARG-2', method='CCSDTBF12', mode='CP', basis='adz', value=-6.1260)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035HIE-061ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.3279)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LEU-061PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8358)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LEU-085LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4787)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LYS-083TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.3736)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LYS-090GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-6.0538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-047TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.4768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-062THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.8926)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-097LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3973)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-111PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.2220)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-128PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.5987)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035THR-112LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7725)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-045HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.2718)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-058PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.1466)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-064ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8832)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-157VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4926)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-161LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-16.4454)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ARG-042GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-109.8398)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ARG-162GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-18.8227)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036CYS-039CYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.2247)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLN-040HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.1676)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLN-105LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5413)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-039ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-118.8006)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-039LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-113.8348)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-045LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1693)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-053VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-056ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-81.6219)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036HIE-063LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.8610)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ILE-040THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.8015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ILE-061ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7597)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ILE-063TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7495)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-039MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9625)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-041ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4071)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-046PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-046PHE-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6395)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-047TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-098ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036MET-049LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.0779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036MET-054VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=3.2205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036PHE-075SER-2', method='CCSDTBF12', mode='CP', basis='adz', value=-2.2495)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036PHE-113ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-5.3031)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036PHE-303TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7972)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036SER-069THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.2119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036THR-090GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-19.3853)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036THR-104MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036THR-133PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5524)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036TRP-047PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1799)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036TRP-049PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0109)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036VAL-060TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4198)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036VAL-070TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.3027)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036VAL-086TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9024)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ALA-056ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4138)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ARG-152GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-119.2030)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASN-040THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=3.1152)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASN-067GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-6.1335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASP-040ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-79.6370)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASP-064TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-18.6555)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037HIE-050GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-24.2367)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-116PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7804)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-125LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-162PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6579)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-165VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037LYS-162PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037PHE-048HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.8147)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037SER-043ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-6.2581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037THR-053ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.6354)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037THR-085LYS-2', method='CCSDTBF12', mode='CP', basis='adz', value=0.8047)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-050ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.5655)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-053LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2744)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-055LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-14.9257)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-055LYS-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9262)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-046THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0501)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-050LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.7779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-066LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0741)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-068VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0209)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ASN-199LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5168)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ASN-202PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.1507)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038CYS-095PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2817)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038GLN-042ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-21.6843)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ILE-085ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ILE-094LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.1125)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-045PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8332)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-047TYR-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5838)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-054LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5392)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-109SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6605)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-109VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.1754)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LYS-047PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.2569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038MET-041LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4798)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038MET-146PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.5025)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-042PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.2173)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-042VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0455)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-046ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.2353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-049PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5359)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-061VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-061VAL-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2765)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-101PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0787)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PRO-108ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.8922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038THR-053PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-063TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.9414)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-065PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.7832)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-068TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.2856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-073ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5676)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-078ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8944)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-081TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.8946)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-082ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3631)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-132ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1837)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TYR-060TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.8622)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-041VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.2160)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-072PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-082PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8228)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-083ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.1739)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ALA-095PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.2388)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ARG-043ASN-2', method='CCSDTBF12', mode='CP', basis='adz', value=5.0171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASN-042ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-21.9757)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASN-081SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7227)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASN-083TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASP-057THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-17.2443)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039GLN-047ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-16.2218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039HIE-057HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=8.6104)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-054LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0248)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-055TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0899)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-108ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8312)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-109CYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=2.2735)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039LYS-043HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0957)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039PRO-165PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.3570)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039PRO-166ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5567)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039PRO-199LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.2527)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039SER-054GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-17.7462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039SER-067GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-19.0664)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-046THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-5.1834)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-077LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-079LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8244)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-083VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3454)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-052SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.0164)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-064VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1829)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-066LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.9713)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-066LEU-2', method='CCSDTBF12', mode='CP', basis='adz', value=-2.2313)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TYR-043ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.9531)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039VAL-083TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASN-073PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.9333)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASN-077TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.3333)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASN-090ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-10.4266)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASP-065THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=2.1476)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040GLU-045GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-18.8469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040HIE-103HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-10.0462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040HIE-105LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.9694)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ILE-054VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4296)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ILE-057LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6169)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040LEU-063TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0696)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040MET-085ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.6006)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040PHE-052TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.4165)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040PHE-116PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.2801)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040PHE-133PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.8041)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-044TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3789)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-048VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7916)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-162GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6752)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-186TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6312)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-270TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7018)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-052GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.3812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-055LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7043)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-121ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.3481)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-121ILE-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5624)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-122THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.4175)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-045TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.7048)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-055VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-076VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-079ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-082PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040VAL-063VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ALA-047TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.4472)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ALA-081GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ALA-121ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3675)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ARG-051PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.6276)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ASP-084ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-92.7900)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041GLU-045LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-107.8559)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-058ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.1791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-061PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7074)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-107PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4527)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-107PHE-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3829)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-146PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6543)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-155PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8445)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-162PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0076)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-170TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6558)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LYS-045GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5108)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LYS-107PHE-2', method='CCSDTBF12', mode='CP', basis='adz', value=-2.3983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LYS-110SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-19.0208)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-047SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-054HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.6000)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-073ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6626)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-077LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-094LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-6.6379)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-094LYS-2', method='CCSDTBF12', mode='CP', basis='adz', value=-2.2617)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-104VAL-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7774)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041VAL-059LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7418)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041VAL-064LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.2093)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ALA-082ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.1884)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ASP-045THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-19.5296)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-095PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-5.2470)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-101PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.3872)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-103PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-6.7849)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-121ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.8444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ILE-049PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8884)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ILE-052PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ILE-056PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.9029)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-047ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4807)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-048ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-048VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8834)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-103HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7697)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-105LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4934)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LYS-049GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-123.4279)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-049PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-054PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.1220)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-056SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-061LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6661)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-064LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2836)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-074LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.1712)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-077PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-085PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7167)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-087LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2403)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-088ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.6825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-089ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1793)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-089MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.9273)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-092TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.7696)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-101VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042SER-058ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2506)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042SER-062ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=3.7559)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042THR-052ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.5328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042TRP-049ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-12.5435)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ALA-073PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5252)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ALA-077TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2730)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ASP-054HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-25.3157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ASP-058ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-119.5036)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ASP-062TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.1384)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043GLU-104ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.2570)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ILE-055LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.0617)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-050PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8251)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-055THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5288)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-071PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8331)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-114SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5045)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-161TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.1412)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043MET-048ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4616)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043MET-060VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043PHE-065PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7448)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043PHE-068TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0832)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043PHE-073PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4302)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043THR-059LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-048GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.7188)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-049THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2065)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-068LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.2987)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-185HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.8350)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-186TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.5607)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043VAL-066LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.2872)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043VAL-069VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ALA-052ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ASN-048THR-2', method='CCSDTBF12', mode='CP', basis='adz', value=-5.5739)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ASN-059THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.1869)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044GLN-061LYS-2', method='CCSDTBF12', mode='CP', basis='adz', value=-28.2465)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044GLU-084ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-95.1140)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044HIE-067HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.8737)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044HIE-073TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.7070)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044HIE-086GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-25.4549)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ILE-101HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4457)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-079VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4048)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-101ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5235)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-272GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0784)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-272GLN-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044MET-061VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6857)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044PHE-048LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2230)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044PHE-130VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.0837)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044PRO-053ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.7812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044SER-093ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-14.2460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044SER-118ARG-2', method='CCSDTBF12', mode='CP', basis='adz', value=-10.6862)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044THR-118TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2624)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TRP-048TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.7015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TRP-085PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.2605)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TRP-147TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-048LYS-2', method='CCSDTBF12', mode='CP', basis='adz', value=-15.8473)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-059ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2180)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-077LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5794)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-109LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4514)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044VAL-174MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4816)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045ALA-054HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7100)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045ALA-071HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.2426)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045ASP-081GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=89.1797)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045GLN-062LYS-2', method='CCSDTBF12', mode='CP', basis='adz', value=-24.3772)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045HIE-051GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-23.6008)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045HIE-053ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.1496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-049GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.1026)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-049TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.0595)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-054PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-055ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.8456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-070PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1112)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-097LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8661)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LYS-048GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.6701)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LYS-084GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-72.3248)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-057GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-7.7223)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-061VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5154)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-066PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.9375)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-075LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-10.1109)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PRO-080VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4588)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PRO-100VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5920)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-048ALA-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6126)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-066VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4728)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-097SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-168LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-048ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9355)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-049ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1114)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-100VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9375)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-272GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.8214)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TYR-053THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0464)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-050ASP-2', method='CCSDTBF12', mode='CP', basis='adz', value=-95.7031)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-092TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.8477)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-182GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-76.9858)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-273GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-114.5163)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ASP-083ASP-2', method='CCSDTBF12', mode='CP', basis='adz', value=55.3394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ILE-071GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6534)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ILE-074LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=10.4767)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046LEU-068ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4471)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046LEU-103PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0498)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-050LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.9729)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-084LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.8729)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-088MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.8653)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-107PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.8370)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-119GLN-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9965)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-121LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7550)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-161TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.3353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PRO-140ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4512)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PRO-141ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8477)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046SER-054PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.3252)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046SER-088ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-6.0252)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046THR-069ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.1278)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046VAL-094PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ARG-050GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-82.0705)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ARG-059MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4309)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ASN-062LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6882)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ASN-276PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1475)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ILE-064LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3957)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047LEU-055LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.2922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047LYS-059ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-114.2630)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047PRO-164TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.9637)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047SER-065PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TRP-081GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-9.4529)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TRP-083TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0900)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-052PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2263)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-053ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=1.3503)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-055ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1479)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-058TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.2599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-075ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.9422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-077HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-111PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7399)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-136TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=2.6743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ARG-060MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6658)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ASN-052ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.7658)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ASP-081THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-19.6199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ASP-131LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-115.4939)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048GLN-070SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-052PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5143)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-091ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-6.3188)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-099HIE-2', method='CCSDTBF12', mode='CP', basis='adz', value=-3.0069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-174MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.7624)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-178ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-26.4948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ILE-052ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9764)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ILE-272GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9465)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ILE-279ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9939)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-070PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-070PHE-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1195)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-074TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.8280)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-074TYR-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5971)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-077GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6960)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-141PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3124)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LYS-082ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8332)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LYS-098GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-110.4265)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048PHE-058PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.9348)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048PHE-101LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7045)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048PHE-105TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.8571)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048VAL-093THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.1847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048VAL-095LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6028)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048VAL-099ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ALA-092TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2781)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ARG-167GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-20.9577)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049GLU-080ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-92.7133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ILE-059ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.4146)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ILE-070PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0300)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ILE-100VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LEU-054VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LEU-107PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6933)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LYS-121LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8720)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LYS-158ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-6.6629)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-056PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7381)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-057GLN-2', method='CCSDTBF12', mode='CP', basis='adz', value=-3.3111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-091ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-093VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.8393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PRO-052TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0370)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049THR-053LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6610)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049TYR-054PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4126)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049TYR-098GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=3.4130)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049TYR-102ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.5191)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-053THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-124GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7257)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-127LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-131VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6639)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ALA-081PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0577)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ARG-054THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-12.1427)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASN-083TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3917)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASP-053THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-18.8974)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASP-067PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.8118)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASP-092TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-24.2382)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050GLN-055TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-5.8132)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050HIE-065PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.3394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050HIE-087TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-10.7370)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ILE-053ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6104)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ILE-071PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8233)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ILE-079VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.0910)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050LYS-056GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-112.0065)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PHE-071PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PRO-053TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6008)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PRO-058PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7976)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PRO-096TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.2430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050SER-066PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1625)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050THR-143THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.2287)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050TRP-054GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-6.7291)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050VAL-054THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=1.6938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051CYS-154LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-7.9254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051CYS-156THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=1.9391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLN-089GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-5.4773)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLN-089GLU-2', method='CCSDTBF12', mode='CP', basis='adz', value=-24.7566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLN-098TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.5079)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLU-056MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLU-056MET-2', method='CCSDTBF12', mode='CP', basis='adz', value=-3.3478)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051HIE-277ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-23.9952)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051ILE-068LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0828)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-055ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.9521)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-080ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.9703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-096TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.9118)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-131LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0044)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-058VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4286)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-091ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-5.6946)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-091ARG-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.8980)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-175PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3428)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051THR-152PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2414)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-093VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5711)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-095LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7226)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-097ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-7.3947)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-097ARG-2', method='CCSDTBF12', mode='CP', basis='adz', value=-2.4356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-107PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.3391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051VAL-071ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6941)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051VAL-104ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ASN-061ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-7.0410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ASN-143THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=1.6491)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052GLN-069ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-10.0510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052GLN-117PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1333)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ILE-056GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2618)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ILE-087VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.1853)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ILE-100VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.2011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-060LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5064)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-062PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6213)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-062PHE-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5965)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-070PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8965)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-141PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4219)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-152PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7503)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-056MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.0247)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-061CYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3532)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-071PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3672)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-073THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-075ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3835)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-111PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-141MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.4475)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-148ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-157ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3522)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PRO-109LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6588)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052SER-063PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052TYR-058PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.8358)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052TYR-061ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-24.8825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052TYR-116PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.9963)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052VAL-057SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.2950)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ASN-063SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.4009)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ASN-131VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4398)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ASP-058TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9683)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-066LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.0862)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-069PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2470)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-075LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.1742)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-077LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053LEU-057PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0578)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053LEU-091ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6903)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053MET-140ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-6.0960)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053SER-089GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-19.6896)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-059LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-083ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-25.4895)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-092TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.6091)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-094LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0756)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-142ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3758)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-169MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.7501)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-057ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.3158)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-068PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5449)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-074ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7750)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-117PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054ASN-069PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.6633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054ASN-141ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=1.8888)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054GLU-057ARG-2', method='CCSDTBF12', mode='CP', basis='adz', value=-94.1157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054GLU-058ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-118.0538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054GLU-141GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-13.3921)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054ILE-074ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.3272)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-061LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8978)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-063PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4846)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-069VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4279)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-091LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9074)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-091LEU-2', method='CCSDTBF12', mode='CP', basis='adz', value=0.3915)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054PHE-101ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7758)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054THR-057ASP-2', method='CCSDTBF12', mode='CP', basis='adz', value=1.0622)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054VAL-091ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.1953)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054VAL-097ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5018)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASN-058GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-5.3658)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASN-058TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.8403)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-069ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-118.1219)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-104LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-86.6521)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-105TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-10.7067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-185ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-112.3446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055GLN-272GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=5.8057)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055GLU-121LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0995)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-059ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7728)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-061CYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-151THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0579)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-155ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=1.1735)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055LEU-060VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7897)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055PHE-139ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055PHE-141GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055PHE-141GLN-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.8858)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055SER-071PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6144)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055SER-152PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.9452)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055THR-072THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.3598)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055VAL-059ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ALA-061VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5439)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ALA-175PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8339)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ARG-061LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056HIE-287LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0946)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056HIE-287LEU-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3859)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ILE-059PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3756)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ILE-059PHE-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056LEU-069LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4798)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056LYS-160ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-109.7966)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056MET-059MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056MET-181ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9509)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056PHE-062PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5245)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056PHE-129PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0532)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056PHE-152PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3643)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056SER-076LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5473)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056TYR-062TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.0145)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056TYR-064VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.2314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056TYR-084ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0399)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057ARG-067VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4972)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057GLU-061ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-88.8474)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057MET-060MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2227)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-060LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-066ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-098VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7264)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-116PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3002)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-163ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PRO-063TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6879)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057TYR-091LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.8085)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057VAL-084ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.6011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057VAL-084ASP-2', method='CCSDTBF12', mode='CP', basis='adz', value=-2.3369)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057VAL-181ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2152)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ARG-062LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9621)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ARG-141GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-10.2472)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ASP-279LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-108.8717)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058GLN-067PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7178)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058GLN-067PHE-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1778)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058HIE-067GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058HIE-115GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.3482)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ILE-097TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.9399)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LEU-071VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9068)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LEU-084LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.1452)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LEU-094GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8159)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LYS-122VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.3803)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-062ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0078)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-062TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.7809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-070TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.2309)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-081PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.4833)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-101ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.5493)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-131VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TRP-084SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.6295)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TRP-180SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-062GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-062GLN-2', method='CCSDTBF12', mode='CP', basis='adz', value=-2.6386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-062LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-8.6075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-066VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-068ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7775)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-077ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1943)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058VAL-085ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.2902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ARG-065MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6150)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ARG-067GLN-2', method='CCSDTBF12', mode='CP', basis='adz', value=-23.4206)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ASN-062LYS-2', method='CCSDTBF12', mode='CP', basis='adz', value=-27.4820)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ILE-068ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7595)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ILE-094LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6558)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LEU-117VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8738)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LEU-117VAL-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3166)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LEU-119GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7274)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LYS-063ASP-2', method='CCSDTBF12', mode='CP', basis='adz', value=-116.2138)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LYS-075TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-7.5574)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LYS-135ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.5543)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-063ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.9555)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-118THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-120TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.9978)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-127ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059THR-088TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059VAL-084LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059VAL-136TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5833)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060ALA-081LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7206)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060ASP-165ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=77.5127)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-068PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7247)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-095PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0305)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-095PHE-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0093)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-098VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5252)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-120VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1682)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-152PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060MET-070GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.5717)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060THR-087LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-17.9416)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060THR-176ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-12.8422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060TYR-064LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2502)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060TYR-128PRO-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7711)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060VAL-063TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1976)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060VAL-157PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9131)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ALA-080ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.1899)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ARG-083GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.6747)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ARG-083GLU-2', method='CCSDTBF12', mode='CP', basis='adz', value=-91.8684)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ARG-084LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5116)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ASN-065ASN-2', method='CCSDTBF12', mode='CP', basis='adz', value=-4.9611)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ASP-065LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-6.6876)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-080ARG-2', method='CCSDTBF12', mode='CP', basis='adz', value=-78.2449)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-088PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-5.2292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-142MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-8.2357)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-145LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.8662)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-064PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8464)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-086ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2095)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-089MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-091ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.1071)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-092TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-098LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-155ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.7292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061LEU-065MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6239)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061LEU-079ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-068VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6982)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-086VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2443)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-086VAL-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8068)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-099ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.4643)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-117VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8245)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PRO-088PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061THR-081THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061THR-083GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-15.9319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061TYR-066LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.3762)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061VAL-064TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4357)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061VAL-066VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.2655)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061VAL-068ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9851)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ALA-070MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3237)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ASP-080ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-86.8590)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-110GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-6.7917)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-112PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5425)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-171PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=1.8028)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-173TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.7440)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-173TYR-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.9270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-070GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-8.0475)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-072LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0300)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-073TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=3.7706)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-076ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8169)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-067ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3519)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-069TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.2822)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-105TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5701)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-107PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9282)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LEU-075ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3700)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LEU-077ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LEU-079LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LYS-067PHE-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.9659)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LYS-147GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.5551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062PHE-120TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062PHE-128PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.1490)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062THR-099ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-9.8304)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062THR-102HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3934)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TRP-073ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.8838)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TRP-164PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.5610)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TRP-166PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3101)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-077PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.5492)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-083GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-22.6059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-084ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2136)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-093ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5720)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-095TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.5104)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063ASN-081THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.3341)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063GLN-067ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=12.3029)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063GLN-136TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.6801)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063GLN-165ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-10.0152)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063ILE-077LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063LEU-068HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5487)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063LEU-108LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6407)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063LEU-140LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.2687)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-090GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7859)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-090GLN-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0756)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-091ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9731)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-094VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0556)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063THR-092TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5697)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-081TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.9925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-085MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.6394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-098LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4790)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-136PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6834)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063VAL-067LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063VAL-154THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6136)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064GLU-111TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6495)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-072PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4688)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-084TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.1323)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-084TYR-2', method='CCSDTBF12', mode='CP', basis='adz', value=-3.3152)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-090TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064PHE-097PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4099)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064PHE-123THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1014)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064PHE-125TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.2800)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064SER-171PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=1.4577)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064THR-116PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8691)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-068LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-5.2926)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-078PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.6898)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-082VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2901)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-083LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-164PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.9189)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064VAL-073ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.2080)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064VAL-143GLN-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.9004)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065ALA-070PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8151)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065ASN-110GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.5144)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065ASP-110GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-5.3860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065GLN-088TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4160)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065LEU-077VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6434)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065LEU-080VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065MET-117PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.3529)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065PHE-095LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7712)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065PRO-101LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6114)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065PRO-111TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.0698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065SER-068TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.3940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065SER-108TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0414)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065THR-069ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6128)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065THR-082LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2764)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065TRP-146THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1438)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065TRP-154THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6869)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065TYR-090PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0578)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ALA-084ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ALA-136TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3564)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ARG-167GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-118.3609)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ASP-069ARG-2', method='CCSDTBF12', mode='CP', basis='adz', value=-93.4057)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066GLN-070ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.8903)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066HIE-069GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.7448)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ILE-146VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7056)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066LEU-073PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066LEU-138THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5589)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066PHE-075LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8689)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066PHE-109SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3159)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066PRO-095TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.4858)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066TRP-109TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.8875)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066TRP-110PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.9995)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066VAL-085ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.1358)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067ARG-077ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.1261)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067ASP-070ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.4625)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067GLN-115GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-6.0076)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067GLN-117PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.7174)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067GLU-139TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.1038)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067HIE-070HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.8702)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067HIE-086GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.6014)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067LEU-078LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067LEU-107LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6901)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067LEU-109VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5694)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067PRO-095TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.7302)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067PRO-101ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6669)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067SER-073TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067THR-080TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1214)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067THR-082VAL-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9495)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067VAL-085ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=1.6735)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ARG-072THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-12.4246)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068HIE-075LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-10.6443)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068HIE-080GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=1.3091)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068HIE-123ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-25.8007)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ILE-072LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.2801)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ILE-084TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.9426)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ILE-091LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.1045)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068LEU-081VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5144)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068LEU-146PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1943)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068MET-131LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.2173)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-076LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0781)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-076LEU-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-077ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6182)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-077VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8718)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-080LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9298)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-080VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0403)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-083LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8810)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-110LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8610)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068TYR-073ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0076)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068TYR-078ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.3710)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068TYR-082HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7939)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069ARG-075ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0616)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069ASN-119VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7738)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-076ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-076ILE-2', method='CCSDTBF12', mode='CP', basis='adz', value=-6.6796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-078ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-117.3248)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-123ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=61.4625)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069HIE-075ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069HIE-078PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.2854)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069ILE-101ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.4176)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069PHE-078GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-6.0339)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069PHE-080TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.4170)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069PHE-166TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=1.4496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069THR-080LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5615)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-073TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.7673)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-086GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-086ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6408)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-114VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070ASN-080GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=7.3618)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070ASP-076THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-15.1712)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070GLU-073LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070GLU-073LYS-2', method='CCSDTBF12', mode='CP', basis='adz', value=-92.5120)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070MET-075ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0447)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070PHE-120TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.7359)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070SER-082VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070THR-120ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=5.4154)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070THR-124THR-2', method='CCSDTBF12', mode='CP', basis='adz', value=-4.6343)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070TRP-084VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0677)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070TRP-138LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.5429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070TRP-174PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.4258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071ASP-074LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.0720)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071LYS-195ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.3935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-080ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0213)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-080LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0094)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-086ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5511)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-108ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0863)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-114SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3685)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071SER-082HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-5.6059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-076LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-078GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.9941)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-099TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-6.6350)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-100SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.9601)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-125PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.2896)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-165ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.2990)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-166TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.3422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-077ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-083ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5004)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-085ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-119VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.0707)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ARG-116ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-93.9133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ARG-118TYR-2', method='CCSDTBF12', mode='CP', basis='adz', value=-6.0803)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ASN-075ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-18.5529)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072HIE-093TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0844)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072HIE-095PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.1814)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-077PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4054)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-082HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.8410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-116PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0000)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-116PHE-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5784)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072THR-175GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072TYR-076ARG-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4722)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072TYR-127ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072VAL-176PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7228)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ARG-076LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.3462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ARG-119ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-102.8232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ARG-163ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5029)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ASP-135ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-111.0323)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ASP-193VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.4553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073GLU-077ASN-2', method='CCSDTBF12', mode='CP', basis='adz', value=0.1865)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073GLU-119SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-19.0753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ILE-128ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0308)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073LEU-120TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9690)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073PHE-077TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.7273)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073PHE-079LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7665)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073SER-090SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5706)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073SER-178SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.2835)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073TRP-089TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.4010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073VAL-111ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0872)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ALA-083TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-130TYR-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-135SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3191)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-135SER-2', method='CCSDTBF12', mode='CP', basis='adz', value=-12.4065)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-136GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.6773)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-147TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-147TYR-2', method='CCSDTBF12', mode='CP', basis='adz', value=-6.0315)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074GLN-094ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-5.8226)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074GLU-096ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-61.5209)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LEU-079TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1621)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LEU-102PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LEU-107PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.4362)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LYS-127ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074PHE-080LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.3481)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074PHE-083HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.8600)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074SER-091PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6968)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074SER-111GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-20.6201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074VAL-080TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.4604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074VAL-083ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8746)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074VAL-190LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4188)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075GLU-079GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-12.7192)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075GLU-079GLU-2', method='CCSDTBF12', mode='CP', basis='adz', value=75.7579)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075ILE-080ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7323)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075ILE-112LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4821)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075LEU-094ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5772)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075LEU-111LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3213)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075LEU-111LEU-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3425)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075PHE-093PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7017)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075PHE-182ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.2578)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075PHE-184PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3461)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075SER-078TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5052)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075SER-111ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-17.0267)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075TRP-176ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.5691)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-079GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-96.7054)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-120TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.7378)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-208TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7389)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-208TYR-2', method='CCSDTBF12', mode='CP', basis='adz', value=-6.0650)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-084LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9511)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-089TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-25.8911)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-091PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3977)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-188GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-20.4774)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076GLU-170LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.8403)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ILE-094ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3817)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076LEU-086MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.1640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076LEU-117ILE-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.0250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076LEU-123THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076PRO-111TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9774)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076PRO-112LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.0071)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076SER-082PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4859)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076THR-090SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-5.3654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-125ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.3940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-125ILE-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3276)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-136TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.9118)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-139ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.1438)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-143TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-5.3203)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ALA-096ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0895)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ALA-138ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4543)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ALA-138ARG-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.1347)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ASP-080ARG-2', method='CCSDTBF12', mode='CP', basis='adz', value=-85.3734)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077HIE-111LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0447)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-102PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9435)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-112ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-125VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1079)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-128TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0977)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-128TYR-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5208)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077LEU-093VAL-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.0965)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077LYS-178VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.5364)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077LYS-186ASN-2', method='CCSDTBF12', mode='CP', basis='adz', value=-19.3472)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-089PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.5801)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-093ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.1166)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-097LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-116PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7941)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-160VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7358)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-162PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-201ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-6.5037)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-205GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-8.8137)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078ALA-126VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078ASP-157LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-104.2699)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLN-085LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLN-088GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-20.7915)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLU-099THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.2130)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLU-127GLN-2', method='CCSDTBF12', mode='CP', basis='adz', value=-23.4741)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078HIE-081PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6653)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078LEU-108VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.2621)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-082VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-096ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9905)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-104TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.5340)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-107ALA-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9590)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-108LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1240)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-179LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0748)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-215ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0043)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-218LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8287)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-218LEU-2', method='CCSDTBF12', mode='CP', basis='adz', value=0.2147)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PRO-115PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4777)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PRO-186ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.6211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078SER-184PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.7381)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078TYR-082PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.9955)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ARG-083ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-98.0200)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ARG-182ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-110.6908)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ASP-131HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-27.5776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ASP-135ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.9211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079PHE-089PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4381)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079PHE-100THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079PHE-104LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3817)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079SER-088ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7670)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079SER-208TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4853)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079THR-089LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079THR-089LEU-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079THR-110THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-5.2213)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-084PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.4078)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-109VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8289)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-112LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-112LEU-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0917)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-146PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.5367)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-153TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.8061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-167GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=1.4369)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079VAL-087LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3124)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079VAL-094ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ARG-088PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.8953)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ARG-090ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.3732)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ASP-087LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-112.2581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080GLU-092ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.2522)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080GLU-155ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-119.2958)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ILE-112LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5230)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080PHE-085LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0719)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080PHE-098SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5504)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080PHE-166PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0143)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080THR-090ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.1174)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-088LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-090TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.2141)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-095ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0578)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-108LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.5201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-136ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4989)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TYR-129TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.3095)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TYR-172GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=1.1752)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ALA-088ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASN-084LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.8462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASN-085SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3373)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASN-100TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-6.0168)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASP-092SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-18.7516)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLN-085ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-22.4166)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLU-101ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=5.6017)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLU-103GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5892)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLU-103GLN-2', method='CCSDTBF12', mode='CP', basis='adz', value=-13.9183)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081HIE-202PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.0217)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ILE-085ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.6877)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081LYS-105VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.9650)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-106CYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=13.1159)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-134GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4980)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-134GLU-2', method='CCSDTBF12', mode='CP', basis='adz', value=-8.8278)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-138ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.9460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081SER-087PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081TYR-085ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0077)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081TYR-130VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6418)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081VAL-105TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081VAL-149HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3748)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ARG-088PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.9957)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ARG-088PHE-2', method='CCSDTBF12', mode='CP', basis='adz', value=-4.6017)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-121LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5341)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-135ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8675)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-136PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5502)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-186VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9131)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082LEU-176PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7898)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082PHE-091ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=1.0223)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082PHE-102TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.9046)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082PHE-104VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9695)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-108LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-126SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5461)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-127PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.8191)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-130VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ASP-089HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-23.4289)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ASP-105TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=3.6721)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ASP-136ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-94.0394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083GLU-094TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-7.3970)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083HIE-086GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-25.4774)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083HIE-089ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-25.2306)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ILE-155ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7068)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ILE-173LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-087LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2184)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-088TYR-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6304)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-101GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-108VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5122)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083THR-086MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.7849)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083THR-087GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3012)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083TYR-087PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.0845)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083TYR-094TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4226)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083TYR-096ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7672)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-087LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7986)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-094PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8530)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-094PHE-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7580)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-103TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5749)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-140TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0178)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-153PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.2344)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ARG-089ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-87.6304)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASN-099LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4325)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASN-103TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-8.3333)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASP-087PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.5699)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASP-107ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-14.0383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASP-126VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.4400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084CYS-090LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-10.9301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084LEU-090LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084PRO-122PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2762)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084PRO-135PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4754)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084THR-107PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.8700)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084THR-108TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084TYR-089ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.6379)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084TYR-095LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3117)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085ASN-099TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5058)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085HIE-094TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.8593)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085HIE-101TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.7056)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085ILE-089ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4621)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085ILE-103LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2993)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-094PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-108LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4636)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-137ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1616)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-138LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7544)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LYS-088GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-111.4868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LYS-094TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.2779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085MET-136PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1091)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085PRO-090LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8828)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085TRP-089ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.0173)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085TRP-135LYS-2', method='CCSDTBF12', mode='CP', basis='adz', value=-7.3315)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ALA-101GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7863)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ALA-104TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9409)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ALA-136PHE-2', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-091ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-6.2590)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-092TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-6.6772)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-112TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-11.0545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-115ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-112.0176)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086HIE-089GLU-2', method='CCSDTBF12', mode='CP', basis='adz', value=14.4204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086PRO-090ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4709)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086SER-136TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.3945)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086VAL-105LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086VAL-116VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6479)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087ALA-171PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.0101)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087ALA-173TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3934)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087ASN-091LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=3.6100)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087CYS-119ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=6.4949)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087CYS-121LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.2147)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087GLN-139ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-6.5362)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-095PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4166)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-095PHE-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1939)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-096TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0763)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-109VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4639)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-153PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.1961)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087PHE-126VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087PHE-186VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4829)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087PHE-188VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0323)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087VAL-102LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.0090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088ASN-092ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3817)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088ILE-135LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.2333)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088ILE-135PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4275)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088LEU-108ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088PHE-092LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9398)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ARG-106ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-92.4782)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ARG-108TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-12.2898)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ARG-131VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.3279)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ASP-092PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-5.2673)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ASP-112ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-13.9473)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ASP-131VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.5162)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089CYS-105LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089GLN-117PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.9915)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089GLN-125TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6273)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ILE-112TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7302)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089LEU-127VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0158)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089THR-098LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5667)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089THR-098LEU-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089TYR-094TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089TYR-153VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5962)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ALA-121PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6381)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ARG-187SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-7.9066)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090GLU-119ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-101.6762)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ILE-099LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ILE-107SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ILE-190VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090LYS-122ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-5.7382)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090LYS-122ASP-2', method='CCSDTBF12', mode='CP', basis='adz', value=-3.7529)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090PRO-129TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090PRO-154VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5105)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-095ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-8.3917)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-095ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2849)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-099ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-105LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7395)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-112GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=5.9324)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-113ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.3341)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091ASN-096TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-7.1301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-098SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.5484)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-118THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-118THR-2', method='CCSDTBF12', mode='CP', basis='adz', value=-2.5632)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-121LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0547)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-122ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=11.2557)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-125HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1237)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-127VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091LYS-140SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8971)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091LYS-140SER-2', method='CCSDTBF12', mode='CP', basis='adz', value=-16.8824)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091THR-094HIE-2', method='CCSDTBF12', mode='CP', basis='adz', value=-6.5094)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091VAL-094ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.1403)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092ALA-164GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7017)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092LEU-095HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PHE-099TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.6326)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PHE-120VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7974)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PHE-131VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9655)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PRO-102HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5126)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PRO-133LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0178)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092TRP-100GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=22.9194)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092VAL-117PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ALA-099THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ALA-164ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.4654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ASN-096LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ASP-097THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-21.8547)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093HIE-118GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.9413)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093HIE-120ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5846)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093PRO-184PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5291)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094HIE-099THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4361)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094HIE-104PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.7697)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094ILE-114TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9746)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094LEU-132VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8240)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094LEU-182MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8246)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094LYS-112ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-122.0649)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094PHE-098ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.1870)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094PHE-141ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6692)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094PRO-135MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8307)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094TYR-097THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3614)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094TYR-151VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8693)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094TYR-153VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7208)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094VAL-125TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094VAL-152LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.0961)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094VAL-166PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4018)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ASN-164ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-23.1801)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ASP-102TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=4.6890)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095GLN-098TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0413)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095GLN-185THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9306)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095GLN-187ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-6.1347)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ILE-120TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6502)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ILE-120TRP-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ILE-144THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5532)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LEU-103ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4540)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LEU-130VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6476)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LEU-133LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6734)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LYS-107ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8945)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LYS-109THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-14.8110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LYS-127ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-6.2321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-099LYS-2', method='CCSDTBF12', mode='CP', basis='adz', value=-2.5656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-118ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7987)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-154ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2663)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-160VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9378)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-160VAL-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4605)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095SER-114THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1239)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095THR-182ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=1.6642)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095TRP-099LEU-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4884)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095TRP-104VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8030)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095TYR-106TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.4223)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ASP-100ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-21.6063)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ASP-101GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-22.5480)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096GLU-121LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.2075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-101GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.3084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-103SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-5.5016)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-126LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7794)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-127ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=11.9984)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-132VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3659)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ILE-127VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3293)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ILE-127VAL-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.0907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096TRP-110LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0537)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096VAL-105LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.1882)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096VAL-108THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7589)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ALA-105LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5683)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ALA-117HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9360)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ASN-102TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.9698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097GLU-101ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-103.4101)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ILE-105THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9374)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097LEU-111PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1303)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097LEU-113ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=1.4987)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097LEU-128PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PHE-103ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.1760)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PHE-181TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.7730)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PHE-183ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9906)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PRO-106ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5310)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TRP-145LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TRP-173TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.1175)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TRP-213ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0676)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TYR-101TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.8053)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TYR-179LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.5487)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TYR-179LYS-2', method='CCSDTBF12', mode='CP', basis='adz', value=-4.6328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097VAL-112TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098ILE-145ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5837)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-101VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9404)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-115SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0103)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-117ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4996)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-136PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9107)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-144VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4637)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-144VAL-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5548)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-146TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0548)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098PRO-101GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098PRO-102ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.0357)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098PRO-114PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7817)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-112PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.1241)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-127VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.1353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-138TYR-2', method='CCSDTBF12', mode='CP', basis='adz', value=2.6019)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-164ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-17.5253)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-101GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1398)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-105TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6858)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-152ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6981)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-286TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8115)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-287LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-102HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.4821)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-147VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7746)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-149ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5742)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-177ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-104.1976)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-216GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-87.6477)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099GLN-108GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.9071)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099GLN-148HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.4101)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ILE-103ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3732)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099LYS-104THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8019)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099MET-107ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9371)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099MET-126VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.2657)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099PRO-104TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.8467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099PRO-164PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0986)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099PRO-166GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.0044)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099TRP-118PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2715)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099TRP-272GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-24.4345)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ALA-112PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5819)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ASN-113LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9524)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ILE-103HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7993)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ILE-104LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.8878)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100LEU-130VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6466)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100LEU-134ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3251)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100LEU-142LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3751)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100SER-119GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-20.5335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100SER-131VAL-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0498)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100SER-148ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=2.1649)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100THR-104LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5664)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100TRP-103LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-11.4777)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100TRP-103LYS-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3296)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100VAL-283ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5884)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ALA-104ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.1249)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ALA-128ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6597)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ALA-138TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4745)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ARG-142LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ASN-125HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.2917)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ASP-145THR-2', method='CCSDTBF12', mode='CP', basis='adz', value=-18.7723)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ILE-110LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8803)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ILE-110PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5364)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ILE-123ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6876)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101LEU-111TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2663)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101LEU-125TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7416)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101LEU-132ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TRP-132VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9331)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TRP-135LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.7006)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TRP-177ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9114)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TYR-151VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101VAL-106LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8861)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101VAL-132PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3781)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101VAL-132PHE-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3004)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ALA-114PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.1256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ASP-106SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.6022)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-109TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.8246)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-127GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7537)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-269HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.9247)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-270TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0264)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-272GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-5.5270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-110ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-145ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5448)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-149TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-149TYR-2', method='CCSDTBF12', mode='CP', basis='adz', value=-2.1515)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-153PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7522)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102SER-165LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-8.1303)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102SER-169ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-18.0571)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102VAL-133PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8895)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ASP-149TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-22.3176)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ASP-269HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-11.1638)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLN-108PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.7815)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLU-106LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-112.9726)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLU-108TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-20.7024)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLU-177ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=81.5027)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103HIE-168TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-11.2400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ILE-110VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5458)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ILE-130VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5979)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ILE-132PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7609)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103PHE-122MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5096)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103PHE-127LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8628)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104ALA-125TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104MET-112ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0054)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104MET-133PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4944)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-107ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7159)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-129ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.3058)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-147LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-166GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-22.1120)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-168LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6530)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-169PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1807)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-202PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.2187)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-205GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1354)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104VAL-108ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6261)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104VAL-112SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104VAL-126ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7147)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ALA-115GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5053)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ASN-139VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1044)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ASN-146GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.9426)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ASN-154ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=4.9871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ILE-128LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.2048)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ILE-131ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4951)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ILE-135LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6217)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105LEU-114TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.9991)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105LEU-168ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0007)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105LEU-175PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5557)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PHE-127LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9423)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PHE-130ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.8855)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PHE-130ARG-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6761)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PRO-128ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.2459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PRO-181TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-8.3717)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105TYR-149HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.5235)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106ASN-130HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=1.4790)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106ASP-133GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=4.9715)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106GLU-129LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-113.2581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106ILE-168ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3354)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106LEU-126LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.2887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106LEU-149PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5605)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106LEU-149PHE-2', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0154)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106PHE-109PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.2677)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106PHE-178LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.4784)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106SER-128PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.5118)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106TYR-112SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0601)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106VAL-112LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6174)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107ASP-125ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-24.1418)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107ILE-153TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9272)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107ILE-158MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0246)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107THR-125ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6140)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107THR-129LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-18.1272)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107VAL-147PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9636)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107VAL-147PHE-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9054)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108ILE-122VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6160)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108ILE-146GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108LYS-131ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3833)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108LYS-160LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.2046)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108PHE-125TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.8467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108PHE-127PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7173)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108PHE-150VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9326)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108TRP-151ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.9441)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108TRP-155VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109ARG-115GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-113.2452)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109GLN-161GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4929)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109GLN-161GLU-2', method='CCSDTBF12', mode='CP', basis='adz', value=-13.2188)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-113ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0840)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-181ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-182VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2838)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-185VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1554)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-228TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.7225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109SER-137ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=1.6348)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109THR-131VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1317)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109THR-158MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7448)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109VAL-164ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3600)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ALA-161PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7495)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ALA-164ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4976)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110GLU-129LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-114.5041)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-116PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0674)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-149ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1083)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-151VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0078)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-162VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8696)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110LEU-125VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3778)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110LEU-127ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3490)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-123ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.2655)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-128PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6691)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-222TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.3984)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-226LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1219)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-226LEU-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2182)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110THR-127GLN-2', method='CCSDTBF12', mode='CP', basis='adz', value=-5.9090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110THR-129TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-5.5224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111ASP-156SER-2', method='CCSDTBF12', mode='CP', basis='adz', value=8.3805)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111ASP-193HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-10.3254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111HIE-218LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.4298)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-116ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8663)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-130TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2903)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-158LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4512)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-169LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4458)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111TRP-115GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.3653)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111VAL-125ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ALA-128PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ALA-131VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8285)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ARG-115ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.8395)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ARG-125PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0669)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ARG-127GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ASP-183GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=84.1552)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ILE-125VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.1422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ILE-142ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112LEU-142PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2091)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112LYS-127LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9298)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112PHE-121LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112PHE-125HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4316)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TRP-119ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9946)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TRP-119ARG-2', method='CCSDTBF12', mode='CP', basis='adz', value=-3.1364)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TRP-120VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5707)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TYR-125GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.2307)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TYR-128LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9380)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TYR-190ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-8.3480)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-118ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.0430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-120VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-122VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3086)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-225TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0140)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ASP-195GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-14.6262)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-131VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4968)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-164HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2278)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-185VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.0337)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-190ARG-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.9892)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-232ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9598)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113LYS-117GLU-2', method='CCSDTBF12', mode='CP', basis='adz', value=-3.7528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113LYS-170VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6957)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113LYS-173GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-123.7727)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113SER-120ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4085)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-119PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0813)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-124HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.9272)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-126ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9340)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-171ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-22.4657)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-178ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.2725)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TYR-124THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113VAL-120HIE-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.9927)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113VAL-143PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114ALA-160ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4874)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114ASN-122ARG-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8045)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114ASP-179LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.6207)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114GLU-144ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-7.9912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114GLU-146ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-120.3451)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114LEU-118ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4770)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114LYS-225TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0350)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114VAL-167GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.0480)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115ASN-124LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0845)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115ASP-156ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=83.5634)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLN-118ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.6601)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-123PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0746)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-123PRO-2', method='CCSDTBF12', mode='CP', basis='adz', value=-4.0585)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-160GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=62.4036)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-163TYR-2', method='CCSDTBF12', mode='CP', basis='adz', value=-4.2484)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115MET-168TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7704)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115PRO-129TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.6057)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115THR-138VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4360)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115THR-142GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-19.8153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115THR-142GLU-2', method='CCSDTBF12', mode='CP', basis='adz', value=-17.8211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115VAL-122MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6420)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115VAL-123PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7617)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115VAL-130ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.5250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116ALA-162PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116LYS-144SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-8.8076)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116PHE-130VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4018)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116PHE-165VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9206)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117HIE-123PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4236)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117ILE-142PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PHE-125TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.1128)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PHE-130HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4560)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PRO-126ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8193)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PRO-129TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.9730)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PRO-130LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4763)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117VAL-166ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ALA-160VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.2224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ARG-157ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=9.0343)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ARG-185ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=62.4455)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ASP-136HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-26.0924)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118GLN-121PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2808)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118GLU-173PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.6382)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118GLU-176THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-136VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4650)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-165ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3491)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-166TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1891)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-178TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0891)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118THR-121LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0372)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118VAL-162PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5475)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119ALA-160LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119CYS-168HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.5020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119LEU-137ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.0665)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119LEU-137ALA-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119LYS-186VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6675)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119MET-144SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0038)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119PHE-124HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.7171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119PHE-176THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0491)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119SER-123ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.8890)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119SER-140TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119THR-123THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8984)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119THR-123THR-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3966)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119TYR-174ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0100)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120HIE-185ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120ILE-123TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-123ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5048)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-124ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.8947)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-124LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1986)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-135ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7076)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-171TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4192)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-171TYR-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LYS-138VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7302)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LYS-142ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-99.0050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120PRO-126ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4806)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120SER-136HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120THR-143VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.2930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120THR-147GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-19.9692)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120TYR-141PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2946)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120VAL-123ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7882)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120VAL-154ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7493)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120VAL-275LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4266)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121ASN-132THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1442)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121GLN-144ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-22.3112)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121LEU-125HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7245)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121LEU-125HIE-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7354)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121PHE-126VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2028)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121PHE-191LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7466)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121PHE-219TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121TYR-125LEU-2', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0628)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121VAL-157ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8880)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122ASP-125LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.9434)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122LEU-188VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4778)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122MET-126GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-8.0498)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122VAL-125ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3436)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122VAL-143VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122VAL-152PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6441)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123ALA-128VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4450)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123ALA-158ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=1.9171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123ARG-127GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.9037)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123MET-140ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123SER-182ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6355)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123THR-136SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.0854)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123TYR-154VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9719)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123VAL-134LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3624)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ALA-156THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4179)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ASP-131THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=4.0962)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ASP-132THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-20.1542)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ASP-134ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-112.5007)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124GLN-200ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124HIE-140GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-24.8963)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124HIE-143VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5303)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124LEU-136HIE-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124LEU-181VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3567)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125GLU-192PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-5.3281)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125ILE-136TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7461)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125LEU-129LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125PHE-143VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TRP-138SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.3232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TRP-150VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TRP-152LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.9660)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TYR-164HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.0045)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ALA-140GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8305)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ASN-129ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.9799)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126GLU-130ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-104.7578)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ILE-136PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7537)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ILE-139PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2278)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ILE-139PHE-2', method='CCSDTBF12', mode='CP', basis='adz', value=-2.6312)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126LEU-130HIE-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0947)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126LEU-162PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8853)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126LYS-158ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6077)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126PHE-132HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126PHE-171TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.6157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126PHE-176TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.8176)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126SER-171ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6612)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126THR-197TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127ALA-177ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.3409)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127GLU-146ARG-2', method='CCSDTBF12', mode='CP', basis='adz', value=-97.3572)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127GLU-269HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1751)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127GLU-269HIE-2', method='CCSDTBF12', mode='CP', basis='adz', value=12.8153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127LEU-210VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3962)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127MET-131LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3787)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-132ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-133SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-138SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6415)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-140HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.6490)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-158VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-183TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.3384)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-206ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-237ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0178)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-239PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.0815)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128ILE-131LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5501)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128LYS-183TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.4685)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128PHE-235LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6756)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128PHE-252LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5838)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128PRO-275LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128TYR-158MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.0033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128TYR-160LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1804)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128VAL-160LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7867)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129ASN-132TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.6807)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129ASP-140HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-25.0714)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129ASP-148TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0433)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-155PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8916)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-192PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4248)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-195PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.1115)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-277TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.8791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-277TYR-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129PHE-133VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8979)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129PHE-156ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-7.2916)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129PHE-166PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0172)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129TYR-133ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-8.5138)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129TYR-136TYR-2', method='CCSDTBF12', mode='CP', basis='adz', value=-3.4345)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129VAL-159PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129VAL-184PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7273)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130ARG-170TYR-2', method='CCSDTBF12', mode='CP', basis='adz', value=-3.1648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130ARG-244ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0236)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130ARG-248GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-76.8429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130GLN-134GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-17.0297)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130GLN-137ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.2825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130PRO-135ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9821)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130PRO-139ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5634)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130PRO-180PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9867)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130SER-149HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-8.5460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130SER-153TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-5.6385)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130VAL-139ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.3135)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130VAL-162VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5399)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130VAL-185PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9854)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ALA-140HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ARG-134GLU-2', method='CCSDTBF12', mode='CP', basis='adz', value=-79.6113)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ASP-147PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5995)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ASP-182PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.5652)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131LEU-136VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.0017)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131LEU-160MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7132)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131PRO-219VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131PRO-220GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.1968)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131THR-149LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5162)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ARG-136ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.6429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ASP-156ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-102.6737)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132HIE-135LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0202)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132HIE-147ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-25.9007)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132HIE-149ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ILE-135PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8585)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ILE-138TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.0915)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ILE-146TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8961)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132LEU-198PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9267)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-162VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4781)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-174SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.8286)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-176VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2829)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-183GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.9820)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132TYR-136PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.8598)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133LYS-136ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-102.9811)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133LYS-198PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3805)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133PRO-151ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-5.1290)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133SER-161GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-17.9462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133TRP-143MET-2', method='CCSDTBF12', mode='CP', basis='adz', value=-2.5192)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133TRP-148VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.6999)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133TRP-277TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=1.1541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133VAL-137ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.7771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133VAL-146TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0373)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134GLU-138ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-104.4666)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134ILE-147ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.9417)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134ILE-167LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134LEU-205TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5579)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135ARG-193VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135ILE-180PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LEU-139LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1044)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LEU-163LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.2081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LEU-179LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.2851)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LYS-157GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-105.3589)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LYS-177ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PHE-147TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.1577)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PRO-140SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PRO-144LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8710)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PRO-155PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5492)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135TRP-147GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-6.2081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135TRP-208ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1060)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136ARG-142ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.2681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136ASP-198PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-7.1275)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136ASP-201VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.2272)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136CYS-143PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.1327)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136PHE-141ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7626)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136PHE-146TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.1760)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136SER-144ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-14.3995)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136TRP-155CYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3885)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136TRP-165ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-22.9450)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136TRP-179MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4415)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136VAL-169LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6155)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137ARG-154TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.6335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137ARG-154TRP-2', method='CCSDTBF12', mode='CP', basis='adz', value=-6.8303)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137ARG-157GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-101.1685)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137GLU-143MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-5.0609)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137SER-156ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8833)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137TYR-166SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.2651)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138ARG-142GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-92.6235)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138ILE-156ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.8938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138LEU-149PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138PHE-153PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.6654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138SER-169VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7952)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138TRP-146PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.3537)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138TRP-243LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.1765)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138VAL-144ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6470)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139ASN-154SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-5.1226)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139GLU-144LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-116.2562)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139ILE-143TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139LEU-204TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139PRO-180PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3605)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139TYR-148SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4834)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140GLU-143VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.8628)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140GLU-155THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-16.8921)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140GLU-156ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-119.0830)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140LEU-168LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.0849)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141GLN-160PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8521)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141LYS-144GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-111.0933)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141MET-155ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5107)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141PHE-152PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.2938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141SER-144ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-13.9014)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141SER-154ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3366)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142GLN-154GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-5.4888)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142ILE-155LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3977)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142ILE-155LEU-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6573)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142ILE-185VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142PHE-170ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8511)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-147LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-9.0944)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-148TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.9783)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-150VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.1708)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-160PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.0368)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-170ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0823)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-199THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3294)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-203VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8420)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143ARG-187ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-116.0301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143ARG-188LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=62.5022)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143GLN-147GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-23.4265)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143ILE-146VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4262)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143LEU-160ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.6441)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143TRP-146LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-5.1031)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143TYR-150ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.9062)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143VAL-147LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6184)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143VAL-152PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9723)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144ARG-147GLU-2', method='CCSDTBF12', mode='CP', basis='adz', value=-92.4373)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144ASP-150SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-15.3780)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144ILE-155THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8504)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144LYS-161GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-122.1077)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144PHE-153LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144PHE-155ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6732)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='145GLN-149MET-2', method='CCSDTBF12', mode='CP', basis='adz', value=3.7308)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='145LEU-149PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9186)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='145THR-149PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6123)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146ARG-207GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-118.6824)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146GLU-158SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=9.2027)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-149PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.7809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-150LEU-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-150VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4507)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-164TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2245)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-165PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1672)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-199LYS-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7836)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146VAL-161VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5817)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146VAL-161VAL-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4411)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146VAL-165HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147ASP-171TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-25.4788)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147ASP-188LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-111.0454)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147LYS-203VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5729)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147PHE-159PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.7891)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147PHE-182PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.9558)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147VAL-175SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7944)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148ALA-158LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148HIE-152GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.7632)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148ILE-202VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148ILE-204ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.4247)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148PHE-164HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.7638)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148PHE-165TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.4372)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148SER-163ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7772)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148TYR-170ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2437)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-167THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1567)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-171TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.9544)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-175SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.8248)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-177ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-6.4337)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149LEU-152GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-159ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.8493)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-164PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1781)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-165PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-169VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5522)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PRO-152GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.1379)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PRO-152PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8755)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149THR-157PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8802)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149TYR-153PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.7774)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150ARG-157ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-113.0965)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150ARG-208ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.2415)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-153PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8251)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-154TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5009)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-159PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1977)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-167LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-170HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0294)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-202LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7839)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-203GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.4559)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LYS-158LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='151ILE-159VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.1114)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='151SER-159PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0974)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='151THR-163THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=5.5933)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152ASP-156LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-5.2114)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152ASP-158LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2263)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152CYS-197VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.6706)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152LYS-156ASP-2', method='CCSDTBF12', mode='CP', basis='adz', value=-115.1953)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152LYS-277TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.6149)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153ASP-156ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-67.2518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153ASP-200ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-106.1545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153LYS-203GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-115.3474)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153PHE-163LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153TRP-158MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.7494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ARG-204ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=61.7635)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ARG-208TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-10.8297)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ILE-159GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5379)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ILE-160VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5098)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154LEU-191TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154LYS-159ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154TYR-203GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=4.7410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154TYR-207ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.3677)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PHE-197TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6742)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PHE-277TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.1159)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PHE-284LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8495)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PRO-170TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2683)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-171ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-94.8372)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-172THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-14.4107)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-197GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-114.1735)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-200TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.6511)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-200TRP-2', method='CCSDTBF12', mode='CP', basis='adz', value=-12.3693)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156SER-191TYR-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7041)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157ASP-202VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.2863)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157ASP-204ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-118.2213)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157ILE-160CYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3013)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157MET-181ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.2437)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157MET-192ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9896)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157PRO-161VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9274)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157VAL-167PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1978)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158ALA-193HIE-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9045)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158ALA-284LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158ILE-164LYS-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7863)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158LEU-172THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.1685)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158VAL-169VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.1552)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158VAL-205TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1623)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ALA-197TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5234)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159GLU-170LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.4597)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-172TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5821)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-199LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-200TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4715)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-203PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PHE-206ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PRO-164VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4963)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PRO-178TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.6392)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PRO-192ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9782)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159VAL-180LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160LEU-164TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5289)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160MET-169LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0577)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160PHE-169VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6451)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160PHE-203VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0235)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161ARG-285ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-86.5175)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161ARG-288ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.1248)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161ARG-292GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-119.6324)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161THR-194VAL-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.1318)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161TYR-201ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.2521)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161TYR-204ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1507)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161VAL-170LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162ALA-174ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162ALA-175TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.2361)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-198PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0548)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-201LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-203VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7028)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-208ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.1492)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-284LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3278)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162PHE-168LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.9535)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162PHE-207ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2991)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162VAL-167CYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8594)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162VAL-167TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4219)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162VAL-167TYR-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0843)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ARG-201LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.2259)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ASN-166ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7509)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ASN-196ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-5.7422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ILE-166CYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6095)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163LEU-171ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5323)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163LEU-175LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.0785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-174ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.1007)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-178TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.7051)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-180LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9452)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-180LEU-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2167)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-183LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-6.3273)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-184VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-187GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=3.9364)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='164VAL-171ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8508)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='164VAL-225LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5512)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165ALA-292GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.2817)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165GLN-224MET-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.8637)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165LYS-169ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-112.2180)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165PHE-169VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4598)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-168ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=3.1358)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-171VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-208ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-208ILE-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5026)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165VAL-177ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5281)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='166ILE-187ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='166PRO-171VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='166PRO-172VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3362)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='167GLU-187ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-116.9648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='167PHE-170TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.7766)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='167PRO-170VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168HIE-180GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-24.5143)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168ILE-178VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4235)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168LEU-172ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.4476)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168LEU-211ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.9364)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168TYR-203ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1869)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168TYR-224MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4694)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169ASP-172SER-2', method='CCSDTBF12', mode='CP', basis='adz', value=-18.6498)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169LEU-181TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3784)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169LYS-172ILE-2', method='CCSDTBF12', mode='CP', basis='adz', value=-2.7842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169LYS-291ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169MET-184VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.0785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170ALA-175TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1726)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170HIE-174LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2130)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170LEU-178LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9686)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170LEU-186TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3209)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170THR-180GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171ASP-176THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-17.4051)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171THR-180SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-5.1271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171TYR-180PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=2.1671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171TYR-231VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='172ASP-204TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-25.7757)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='172ILE-235VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5530)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='172TYR-193VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8384)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173ARG-234ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-116.4009)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173ARG-296LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=58.6515)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173CYS-269HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173CYS-270TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173LEU-190VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5305)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173PHE-176THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9147)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173TYR-211PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1505)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173TYR-213ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0178)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173TYR-245ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2614)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174ASN-178LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-24.6313)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174MET-177ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1351)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174THR-205LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-203VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-205PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6088)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-270TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.2093)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-273GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6901)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-273GLU-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='175LEU-233ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='175VAL-268LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9275)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='175VAL-274ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-6.8759)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ALA-195LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6145)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ARG-182GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-114.5067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ARG-273GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-76.3115)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ILE-198PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ILE-201ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4568)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ILE-205LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-204TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7122)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-208ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6317)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-208ALA-2', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4957)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-214PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5252)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176THR-180LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7219)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='177ASP-216GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=70.3090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='177GLN-190VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0710)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='178SER-239ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-18.7485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179ALA-225TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8054)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179ALA-238MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7189)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179ALA-250ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7471)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179LEU-239PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7194)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179TYR-216GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=4.2335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179TYR-250PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.9353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179TYR-258TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.3763)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180ASN-219SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.7503)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180ASN-229TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.6258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180GLU-187ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-101.2280)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180GLU-189ARG-2', method='CCSDTBF12', mode='CP', basis='adz', value=-105.2118)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180GLU-194ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-115.2096)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-184VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3262)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-209TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-11.2429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-214PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5950)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-224ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7945)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181ILE-228TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1427)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181THR-195SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-5.0422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181TRP-185GLN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.1135)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181TRP-189SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8816)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181TRP-258TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.8756)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ASP-186ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-11.2048)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ILE-192ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7024)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ILE-239PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0034)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ILE-242LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4875)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182PRO-186LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3634)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182PRO-186LEU-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182PRO-189ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.9627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-190LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3968)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-194ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8409)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-205LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.1554)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-209TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=2.0701)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183TYR-186LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-14.8060)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184ASP-187ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-87.7231)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-205THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7464)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-209LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3402)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-225TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.3928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-228VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2158)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-238MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7787)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-255TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6787)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184THR-220ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4113)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184VAL-225GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5454)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185PHE-190LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0194)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185TYR-220PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5405)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185VAL-224ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.0847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185VAL-228TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186CYS-192PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186GLU-189LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-108.8009)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186LYS-191VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6222)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186LYS-191VAL-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3951)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186TYR-273GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=4.7871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186VAL-208PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1191)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186VAL-223LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4990)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='187LYS-193THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4975)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='187LYS-193THR-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6360)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='188LYS-225GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-5.2158)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189THR-199LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.2768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189THR-205PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189THR-207GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-16.4309)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189TYR-232ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4926)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='190ARG-235LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0547)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='190LYS-193GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-108.7302)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='190PHE-199LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2622)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='191LEU-219TRP-2', method='CCSDTBF12', mode='CP', basis='adz', value=-2.3581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='191TRP-229TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2947)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='192GLN-197VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='192ILE-242LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='192SER-269ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-9.6411)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='193HIE-248MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8516)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='193HIE-301MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.8621)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194ASP-269ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-119.3182)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194ILE-205LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-198PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.9418)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-201LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7947)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-217PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6706)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-233ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-237ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-241TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.6972)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195ASP-241TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=5.9287)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195LEU-205PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8589)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195LEU-237ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3230)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195LEU-269ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.4959)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195PRO-198PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.7040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-218GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=10.4519)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-221MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7945)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-249ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-249ILE-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4345)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='197TYR-201LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7366)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='197TYR-252PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.8925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='197TYR-284LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7433)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198ASN-201LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7158)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-205PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-217PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0023)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-284LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0018)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-287LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5317)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='199LYS-207GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-108.7179)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='200TRP-204ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.2842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='201LEU-284LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5738)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='201SER-209ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.2571)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='202TYR-212ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='202TYR-241TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.2443)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='203VAL-291ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6501)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205LEU-212ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7867)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205MET-223ASP-2', method='CCSDTBF12', mode='CP', basis='adz', value=-5.6351)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205MET-224MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6344)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205THR-209LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6673)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='206ASP-210TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-27.6617)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='206VAL-231TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3131)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='207PRO-216VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='208ALA-214PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1659)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='209TYR-214PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7358)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='210GLU-213LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-109.6255)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='210TYR-216ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7262)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='210TYR-286TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.1568)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='211ASP-214LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-114.5978)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='211PRO-245ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.7152)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='212ALA-221GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.4215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='212ILE-243LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7659)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='212PRO-215ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9473)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='214ILE-217PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5415)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='215ALA-282PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6873)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='217PHE-234TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.1058)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='217PHE-247ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9799)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='217PHE-249TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.6503)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='218ALA-249TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.5207)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='218ALA-258TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5143)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219SER-229TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.4881)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-222TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-222TYR-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6457)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-272ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8243)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-286TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1564)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-288LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.0464)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='220ALA-256THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6797)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='220ALA-286TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.1334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-226LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-4.2175)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-230LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-111.4788)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-231TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=7.1663)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-262SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-18.2695)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-263SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-18.7097)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-265GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=80.8763)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='222ALA-249ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5565)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223ASP-286TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=4.6193)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223ASP-288LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.5669)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223ASP-289SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-19.7723)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223LEU-227ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=1.2186)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='224MET-229PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.4059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='224MET-229PHE-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3913)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='225ASN-228ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.6558)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='225TRP-228VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='225TRP-252GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.4181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-233LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.2400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-247VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0242)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-294TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.3629)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-294TYR-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4720)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LYS-262SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-17.6264)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='227HIE-255SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.4199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='227HIE-256LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.1860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='227HIE-289SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.9627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='228ARG-232GLU-2', method='CCSDTBF12', mode='CP', basis='adz', value=-91.9985)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='228VAL-254THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.2363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='232PRO-290LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5845)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234ASN-237ASN-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-260LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8140)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-262VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3953)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-286TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.9994)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-286TRP-2', method='CCSDTBF12', mode='CP', basis='adz', value=-2.4135)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='235VAL-294ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236ILE-258LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.3699)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236ILE-260ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8336)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236PHE-262VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.8889)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236PHE-279ILE-2', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7955)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236PHE-282GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0407)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237ILE-267ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4431)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237ILE-269ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.4299)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237TRP-246PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.9815)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237TRP-249ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5434)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237TRP-263ASP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.0339)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='238MET-247PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9477)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='238MET-255TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.1818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='239ASP-244THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-3.7002)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='239ASP-271PRO-1', method='CCSDTBF12', mode='CP', basis='adz', value=-12.3117)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='240ASP-270SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-17.9802)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='240PRO-268LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='241ARG-272GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-92.2366)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='243LEU-269HIE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.3803)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='244SER-294TYR-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4511)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='245ILE-250ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6794)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='245PRO-248GLU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-2.2195)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='248MET-298ARG-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8549)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-269MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.5939)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-276ILE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.2988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-297PHE-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.5037)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-300LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='250ILE-255TRP-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.8454)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='250ILE-255TRP-2', method='CCSDTBF12', mode='CP', basis='adz', value=-2.1675)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='251LEU-269MET-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.2664)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='252PRO-258ALA-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.4366)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='253ALA-261THR-1', method='CCSDTBF12', mode='CP', basis='adz', value=0.9894)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='253ALA-302SER-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.9458)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='255TRP-261VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.7688)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='258LEU-261VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6243)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='261VAL-266VAL-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.1761)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='264ILE-271LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.6398)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='270SER-283LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8351)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='273PRO-283LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='274ILE-279LYS-1', method='CCSDTBF12', mode='CP', basis='adz', value=-0.8343)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='275ASN-278LEU-1', method='CCSDTBF12', mode='CP', basis='adz', value=-1.0756)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-005ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-61.7413)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-013ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=63.1562)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-015GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-80.7220)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-159VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.8974)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ASN-026VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7174)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ASN-030MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.9240)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ASN-097GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-16.8527)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001HIE-099GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6188)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LEU-071LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7017)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LEU-154LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5483)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LEU-190THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4855)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LYS-027ASN-2', method='DWCCSDTF12', mode='CP', basis='adz', value=20.7936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LYS-027THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6947)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LYS-027THR-2', method='DWCCSDTF12', mode='CP', basis='adz', value=1.3871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-005GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.2308)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-027VAL-2', method='DWCCSDTF12', mode='CP', basis='adz', value=2.8885)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-031VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=2.4680)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-047GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-5.0847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001PRO-046ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.1481)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001SER-030GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.1829)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ALA-101ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ARG-006GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-90.7740)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ARG-020PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.2196)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ARG-046LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.2577)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ASN-022GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-21.3200)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ASN-026ASP-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-8.5081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ASP-145HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-6.7338)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-005GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7689)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-006GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0506)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-153PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6287)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-163LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5058)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-006GLU-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9104)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-007ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-035GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-110.4903)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-075ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-22.7446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-080ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8750)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-082TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-8.5168)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002MET-031TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8834)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002MET-050ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9409)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002TRP-012VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7145)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002TRP-138SER-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-5.8707)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002TRP-139LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-009TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5685)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-042PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9500)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-042PHE-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5691)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-043HIE-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.1807)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-046SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3371)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ALA-007THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9206)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003GLU-006GLN-2', method='DWCCSDTF12', mode='CP', basis='adz', value=4.2931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ILE-062ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.1119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ILE-065SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.2486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ILE-067TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4562)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003LEU-033LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6173)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003LEU-054LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6203)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003LYS-055LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003PRO-025ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1732)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003SER-096ASN-2', method='DWCCSDTF12', mode='CP', basis='adz', value=0.0215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003THR-181VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0772)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003THR-182GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.5100)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TRP-163PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.0585)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TRP-167GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5932)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TRP-167GLN-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.4697)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-028VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2549)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-028VAL-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6058)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-030GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.6402)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-054VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1555)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-056ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6398)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-073CYS-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.9802)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-074SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6995)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-096HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.0872)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-009TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-012GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.7219)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-036PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2507)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-064TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9774)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-081THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-083PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-118ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-121TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0984)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-024THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-15.4071)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-057ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-057ILE-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.0907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-095TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5412)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-095TYR-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-6.1831)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ASN-009TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.8209)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ASP-043THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-16.6240)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ASP-194ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-102.8281)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004GLN-007ASN-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.5750)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004GLN-056GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-7.3309)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004GLU-039THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-16.4536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-010TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-031TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2423)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-032HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1058)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-040GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.8027)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-179LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6655)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-180LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.1321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-180LEU-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9004)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-183LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4942)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LYS-030ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.3150)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LYS-031ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8202)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LYS-323PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2867)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-116VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0502)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-135LEU-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.8424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-158LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-160PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7728)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-007LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0283)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-009TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.5250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-026TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.4785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-029PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.2599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-068VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5724)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-074ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0596)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-094LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1508)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-096TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.4716)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004SER-027VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5917)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004SER-030MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5738)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-078LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5058)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-132LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-12.8350)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-163LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3615)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-164GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-15.9977)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TRP-014ARG-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5371)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TRP-016LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.4846)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TYR-075PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4095)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TYR-105LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3493)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004VAL-053LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.1484)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ALA-019PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5900)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ARG-012GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-107.0603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ARG-071GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-95.8729)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ARG-158LEU-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.1479)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ASP-103GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-12.7015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ASP-128ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-100.9121)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ILE-054SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1811)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ILE-234TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9243)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ILE-277LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3112)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-010TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-011PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.2566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-015LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.9032)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-023GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8173)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-025ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-025LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5506)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-030ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.2133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-030LEU-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8641)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-032MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7031)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-037ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6002)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-068ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6881)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-077LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4565)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-083HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1878)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-106TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.8684)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-191TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0156)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-022VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6565)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-031TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-037PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-043TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.2572)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-049LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9792)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-050TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.8845)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-155SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7263)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-162GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-163LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PRO-196ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1226)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005SER-028VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5821)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005TYR-166TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.2600)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005TYR-168VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6742)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-008GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4037)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-023LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4038)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-035PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3476)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-037ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3273)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-039SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.1580)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ALA-078GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6186)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ARG-090TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.9543)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ASP-010THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=6.0350)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ASP-116VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5131)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006GLU-010TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.7005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-108PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7764)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-126VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-319TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5272)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-323PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0048)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-018ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-6.8547)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-039THR-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6670)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-050VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-053LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-061PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.2719)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-163LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006THR-097VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6000)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006TRP-026TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006TRP-038VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9733)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006TRP-040LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9978)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-020VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7478)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-023MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5727)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-024ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7240)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-026LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-038ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.2130)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-053LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6306)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-055GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.1942)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-175PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.7865)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ALA-011ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9524)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ALA-021PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9482)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ALA-049VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.2742)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ARG-011GLU-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-103.0121)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ARG-062TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ARG-063PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.7116)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASN-109GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-19.1795)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASP-011GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=7.1146)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASP-119SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-5.7439)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASP-131ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-111.2681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007GLU-033LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.7257)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007GLU-033LYS-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-100.1356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-015LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8810)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-030LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-030LEU-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4506)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-038TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6995)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-042LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.1222)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-097VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-017ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7465)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-026VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.2459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-033LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-090TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2945)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-096TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1093)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-168HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6573)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LYS-011ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-113.1256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LYS-093SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LYS-099THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6722)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-019VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6906)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-021PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.8196)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-021PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6055)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-022VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3355)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-024VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.0961)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-035PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3054)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-084LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7548)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-091ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-111PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1095)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-157ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7192)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-160CYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8719)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007SER-010ARG-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-8.4624)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007SER-100ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.6341)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007THR-031LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.1836)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007TYR-053TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.1052)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-022SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.9497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-026GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4491)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-034ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-038VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6704)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-040THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3992)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-154GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6221)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-154GLN-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1113)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-191TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-248MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6221)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ALA-034ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.2853)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ALA-035GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.9353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ALA-038MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5862)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ARG-115SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-14.9702)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASN-030LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-25.3033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASP-018ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.8485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASP-018ARG-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-111.4512)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASP-058ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3885)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-012HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7287)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-015TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1114)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-032MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5731)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-033PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1327)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-034LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.2028)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-035TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2794)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-041TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0416)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-058PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.3021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-062TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LEU-017ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LEU-088TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2874)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-043THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-14.3052)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-065VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5336)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-068GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.1453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-068GLU-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-106.3887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008MET-158LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.2314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-042LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8323)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-044ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0706)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-097VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7923)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-099HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.3115)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-101HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.7758)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PRO-183ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-13.2376)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008SER-032SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-5.4847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008SER-093TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2287)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TRP-035PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.4029)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TRP-250PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.1680)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TRP-252GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-20.2762)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TYR-052TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.8426)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-039TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-041VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-066LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.1274)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-072SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.2688)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-080PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1772)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ALA-084LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4872)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ALA-091ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.1631)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-023GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-96.1031)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-031TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-11.9689)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-092LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.3637)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-103GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=5.1453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-106ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-89.6471)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-128ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.5230)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-128ARG-2', method='DWCCSDTF12', mode='CP', basis='adz', value=59.6556)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ASN-024ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=9.1354)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ASP-021LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.6461)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009GLN-068ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9784)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009GLN-072ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.5298)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-013TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0399)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-038LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3716)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-052PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-092LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8212)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-092LEU-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-105LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-108PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-155ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4337)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-013VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-033LEU-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4747)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-039ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-041VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6719)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-041VAL-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3624)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-055SER-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7676)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-058ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7420)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LYS-137LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.4626)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LYS-171VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8101)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009PRO-069TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0088)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TRP-111ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-11.3730)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-016GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=4.0139)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-029THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0626)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-033ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.6334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-035SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-050PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.3798)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-053TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.6886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-111ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-23.3145)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-121TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.8938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-158ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.0678)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-301MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6937)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-303TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.6015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-021PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.8812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-025ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4197)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-035ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5967)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-084ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3622)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-086TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3982)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ARG-039ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-100.9433)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ARG-042ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-90.8212)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ARG-092LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASN-014GLN-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-5.9003)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASN-023GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-23.4311)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASN-088TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.7631)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASP-090TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-25.5122)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLN-022MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0109)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLN-102TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.6185)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLU-014LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-68.1508)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLU-032SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=10.0720)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010HIE-015TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0820)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010HIE-023ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010LEU-091ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010LEU-096TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8709)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010LEU-132ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8554)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010PHE-028ILE-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5503)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-022LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.2832)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-025VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2117)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-032ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4384)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-032PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.8573)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-034VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0183)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-052TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3355)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-058PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.8374)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-081VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.4911)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-081VAL-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.4988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-017GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=3.2855)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-049PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.3611)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-052TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.1541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-163TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4591)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-027ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6063)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-028LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6158)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-034TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-040PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7780)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-044ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3093)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ALA-016GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8441)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ASP-091ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-18.2832)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011CYS-042VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011CYS-042VAL-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7758)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011GLU-062TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=2.7615)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011GLU-100THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-8.9086)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011HIE-015ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=2.0317)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011HIE-304SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=1.1638)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011HIE-306ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.9894)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-017LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-018ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5427)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-024ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5879)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-024ILE-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-028LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.1909)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-037LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.0945)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-038TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-042LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-045VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-062HIE-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8773)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-069TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9235)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-071GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0985)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-102TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7554)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-102TYR-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6619)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011PHE-044TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011PRO-020ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3032)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011SER-223GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-18.7651)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011THR-017ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4135)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011THR-166GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.4220)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011THR-166GLU-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-16.7715)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-018ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-8.1909)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-023ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-8.0630)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-051GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-10.5729)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-102GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.8806)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-169ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-144PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1044)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-153LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4427)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-153LYS-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6492)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-155ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.1276)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-055PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6064)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-059PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-108PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9265)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-139ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASN-048PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4741)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASP-024LYS-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-77.4757)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASP-026TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-7.6799)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASP-069TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=3.3244)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLN-034GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-7.0473)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLN-044TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3710)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLN-048TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7158)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-017GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9307)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-019THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-17.3952)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-068HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=11.9593)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-070TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-5.3865)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012HIE-015ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3752)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012HIE-033LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8295)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-016THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-018LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4299)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-028LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.1888)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-044ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8898)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-046LYS-2', method='DWCCSDTF12', mode='CP', basis='adz', value=0.0054)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-046VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-024VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-027PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2283)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-033LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.1756)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-035TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2941)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-039ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6958)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-047ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3949)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-057LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4275)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-062HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7443)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-064LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7619)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-065LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6276)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-070MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-074VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.0990)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-083ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1203)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-085ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7770)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-088TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-026PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.9131)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-040PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5245)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-116PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3990)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-163ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-166CYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1337)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012SER-138SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.7957)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012SER-166PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6578)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012TYR-087PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.2487)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-016LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3097)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-023LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3192)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-088PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0463)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-114PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0146)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-146PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ALA-096TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.4372)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ASN-149ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-7.6349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ASP-016GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=62.7788)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ASP-023ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-118.0982)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-039ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-91.8024)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-052ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7100)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-056GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-22.4771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-065LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.4783)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-069ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-115.9813)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013HIE-032ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4373)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013HIE-095HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.6452)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013HIE-121TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-11.0095)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ILE-017LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7368)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ILE-105ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4231)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-017ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.2717)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-063ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-065PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.8440)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-066ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4555)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-069LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6711)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-077LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.2220)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-082VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-084ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5089)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-036VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-060TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.2557)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-062LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5227)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-063PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7034)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-083ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9908)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-085ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PRO-032VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.1067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PRO-034GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PRO-129THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9993)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013SER-047TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013THR-164GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.0459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013TYR-075LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.8669)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013TYR-075LEU-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5140)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-016PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6202)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-066LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7628)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-154ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2261)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-154ASN-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1645)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ALA-055LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5000)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ARG-083THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=2.6543)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASN-027ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1440)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASN-061LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-24.8804)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASN-137TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.5561)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASP-017ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-81.1437)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLN-093VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4180)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLU-036LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-121.6882)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLU-069ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.6984)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLU-164TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-27.0098)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014HIE-043TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-025TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7438)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-027ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3249)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-081PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1649)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-085ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4764)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-088MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8851)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-061GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4420)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-070TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7601)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-163ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6003)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-174PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LYS-023GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-125.2201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014SER-017GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-15.9700)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014SER-084GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.6846)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-019GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.3656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-021PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6639)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-022LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5283)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-022LYS-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.9075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-082PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.8557)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014VAL-091ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ARG-020ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-100.1608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ARG-164ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5247)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-019THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-5.0093)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-048GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-7.2225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-069ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.1535)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-149PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6884)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015CYS-057LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015GLU-019LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-106.7415)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-019PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4325)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-023LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3767)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-030LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-034LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-035ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6642)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-136HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5452)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-035TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9051)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-038LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4726)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-080PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6512)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-084TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2932)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-102SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.2912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-047TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6170)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-047TYR-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-13.3652)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-220ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-107.8588)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-223GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.5077)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015MET-023LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8982)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015MET-023LEU-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8895)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015PHE-039ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8478)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015PHE-044LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4780)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015SER-018THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.1510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015SER-037LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5737)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-019ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6164)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-021MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8815)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-060HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-8.8984)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-061GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-5.4741)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015TRP-025THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015TRP-096TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.9529)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015TYR-034ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.8969)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015VAL-060TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9669)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ARG-047PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.3426)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLN-048ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7044)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLN-098LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLN-101GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.3022)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLU-035TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.9415)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ILE-021VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ILE-145LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4265)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ILE-219PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7802)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-036LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.2093)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-046ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.2552)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-062LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.1235)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-065LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5140)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-072PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3370)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-082SER-2', method='DWCCSDTF12', mode='CP', basis='adz', value=0.3718)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-137ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-141MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7877)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LYS-085GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-106.2299)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-034VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7739)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-036VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6883)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-132ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8745)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-176PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.7452)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-192LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.1127)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016SER-031ASN-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-5.3176)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016THR-022MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016TYR-079ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5807)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-033THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.2796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-055PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8113)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-059PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4117)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-084ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ARG-056HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-8.8299)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASN-021LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-19.6749)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASN-029ASN-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-6.7839)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASP-049ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-77.1199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASP-060HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-7.9289)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLN-024ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-8.2835)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLN-093VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.2489)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLN-094ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-25.2471)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLU-036TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.5903)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLU-072PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.9204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017HIE-033ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-20.2456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017HIE-035TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-6.0470)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-021LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-028LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6764)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-028LEU-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3188)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-030PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8562)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-055HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.8864)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-149PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.4905)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-050ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3873)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-056PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-066LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.3023)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-083ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017MET-020LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3540)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-022SER-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.1435)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-025TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7276)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-077ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-7.6820)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-081PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.5212)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-084LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4285)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017THR-078GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-14.6926)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017THR-307TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7474)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017VAL-049LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ALA-023VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3367)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ALA-026GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.9360)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ALA-027VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ARG-057THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ASN-227ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0267)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ASP-032THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-20.0798)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ASP-034ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.2528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018CYS-132HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.9231)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018GLU-074ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.9948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-022GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3130)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-052VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4701)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-055ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3884)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-055PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0694)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018LEU-039ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=1.6729)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018LYS-024TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.4862)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-060HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7245)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-085GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4858)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-086VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-139LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018SER-024LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.2849)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018SER-040GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-18.1538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018THR-035ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4376)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018VAL-034ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018VAL-164TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5535)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018VAL-166ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ALA-055HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5034)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ALA-058TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3009)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ARG-027ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=59.7932)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ASN-053VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019GLN-026GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0278)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019GLU-022LYS-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9577)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019GLU-025THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-17.3258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ILE-051VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6417)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-037ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-041VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-061ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5876)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-062LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-062LEU-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LYS-027VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5882)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LYS-031HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LYS-071GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-117.1041)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019PHE-049LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019SER-023ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.0533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019SER-023ARG-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-6.0500)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019SER-026ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-14.4309)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019THR-022MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019THR-035GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9152)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019THR-035GLU-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.8372)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019TYR-050TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.8098)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-027ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6644)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-058VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.0740)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-075LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-081LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-137ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.2475)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-138VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.0462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-138VAL-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ASN-039LYS-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-25.4437)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ASN-040LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-24.2601)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ASP-082LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-79.9318)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020GLN-036TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.9284)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020GLN-059ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.2451)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020HIE-062ASP-2', method='DWCCSDTF12', mode='CP', basis='adz', value=9.9922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020HIE-068LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.2717)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-023VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3146)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-032THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6137)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-082ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4312)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-309ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LEU-024VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8759)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LEU-038ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.2738)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LEU-042VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=1.0950)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LYS-040GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-122.0059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PHE-135PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.3331)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PHE-149LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0857)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-023ARG-2', method='DWCCSDTF12', mode='CP', basis='adz', value=0.7557)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-177PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-178LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8230)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-181ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.0802)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020SER-058VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.1393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020SER-091ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6036)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020VAL-029TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8691)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ALA-039TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ALA-057VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ALA-100ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1531)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ARG-033THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6139)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ARG-035GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.5084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ARG-035GLU-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-91.9021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021GLN-024LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-22.8237)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021GLN-024LYS-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3519)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021GLN-057TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.9481)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021HIE-061PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.2353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-031HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5198)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-036VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5903)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-038VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1275)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-041PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4607)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-077LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.0631)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-088ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7373)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021LYS-032TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-11.5878)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021LYS-039ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7324)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021MET-058TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.8406)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021MET-062GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021MET-069ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1806)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-025GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.2018)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-038VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6290)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-054ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8337)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-060PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.8809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-072PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.8016)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-072THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7829)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-076VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1715)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-079ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0632)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-082PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.7621)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-097LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-097LEU-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-113ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.0615)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-131VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9682)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-251HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.1178)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-260ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0942)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021SER-142ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.8708)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021THR-148GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.1298)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021THR-150LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7683)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021TYR-088PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.5213)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ARG-072GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-106.2955)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ARG-073GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-88.2103)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-028GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=2.4470)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-046MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.9243)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-055ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=8.5328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-058GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.9262)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-147TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-5.4676)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ILE-072HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0892)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ILE-074ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=1.6490)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-057THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8068)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-058PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-062ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7113)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-065LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5781)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-081LYS-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7694)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LYS-086ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7336)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022MET-041VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6772)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-027ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0717)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-031ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4754)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-039TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.9441)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-040ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5097)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-041PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-064VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0165)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-069VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-069VAL-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-099ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8754)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-166ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1978)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-168TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.7604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022SER-121LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6731)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-026THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-039TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.2017)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-040TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.4669)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-043ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-055LEU-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0806)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-059VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2503)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022VAL-067LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4674)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022VAL-079TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022VAL-079TYR-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1396)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ASP-027ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-106.2259)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ASP-042ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-121.1571)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ASP-057ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-115.6970)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLN-177PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.9178)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLN-217THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-6.3011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLU-028LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.1975)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLU-046LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-110.5166)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ILE-060PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-035PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9361)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-035PHE-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8969)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-036ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9795)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-055ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-097LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5631)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-029GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-80.3367)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-029GLU-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.4606)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-064TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-7.7574)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-064TYR-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4445)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023MET-038ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9237)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023SER-051ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=1.6121)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023THR-085ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.2908)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023TYR-026LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7290)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023TYR-031TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.6755)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023VAL-041ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.1637)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023VAL-055LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7278)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ALA-034ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ARG-073ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-16.4181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ARG-076GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-109.5458)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-027ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-25.0398)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-027LEU-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.3286)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-029ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-034TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.2445)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-056PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0198)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-058TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.7027)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASP-065HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-26.7257)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024CYS-100ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.6317)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-040HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-25.2789)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-041LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9645)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-050ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.5728)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-054ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-105.4515)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ILE-055TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9024)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-028GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-028GLU-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.4714)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-029GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0505)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-031LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-032VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4996)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-054VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-260ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1855)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-261ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LYS-057TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1089)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LYS-069TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.1370)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LYS-069TYR-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-9.5790)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-089LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.0864)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-089THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-099TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.1925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-100SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9559)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-130LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4412)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024SER-038THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=3.8777)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024THR-041GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.9457)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-032HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1959)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-049ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5499)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-054PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9136)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-079PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.1600)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-142VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4182)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-143GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3161)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ALA-035TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8692)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ALA-037ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6830)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ASN-181ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-7.6028)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ASN-183THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-5.8563)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-029LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-036THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=1.0189)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-039TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.3032)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-260ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6730)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-274ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0136)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-028VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5154)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-036VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-056LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3088)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-059ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0252)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-084ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.0418)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-084ILE-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3797)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-090ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5048)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-091VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4240)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-055VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-060PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-075ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7371)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-075ILE-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5027)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025SER-035ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.2840)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025SER-075ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=4.1033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025SER-100ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2830)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025THR-045THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.6544)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025THR-100TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3089)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025THR-103LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-17.1930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-038MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7668)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-135ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1381)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-144LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9588)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-146PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.5542)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-152GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-22.1769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TYR-080ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.4557)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TYR-081PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0522)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TYR-084LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5347)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-029TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-057VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6235)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-069ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7479)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-083GLU-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-185ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASN-054ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-7.6850)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASN-055ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1700)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASN-058GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-15.7702)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASP-042PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3821)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASP-077PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.6674)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLN-065HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8719)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLN-065HIE-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0949)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLU-042HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=12.8993)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLU-057TYR-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-25.1885)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLU-059ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-99.3144)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ILE-037TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1365)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ILE-078ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3565)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-037PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-039ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7817)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-040GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.9904)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-041VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1007)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-135ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7592)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-029PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.5428)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-099ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-103HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.9935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-168TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4598)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-030TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0122)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-036PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.8257)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-118ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1615)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-217THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.2252)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026THR-031LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4123)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026TYR-062ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9750)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026TYR-069TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.8792)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026VAL-041GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.3753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026VAL-041GLU-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.1623)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ALA-074LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8182)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ALA-102ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3320)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ARG-049GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-96.7962)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ARG-055THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.3064)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ARG-094ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-97.4701)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ILE-039THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6120)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ILE-046PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ILE-075LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027LYS-089LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7332)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-030ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4878)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-057VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0702)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-069SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0445)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-071VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9143)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-078GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.6085)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PRO-032MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0145)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027SER-034ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6647)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027THR-036SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-5.6035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-070TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.4884)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-085ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4984)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-086TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3924)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-088ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.0154)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-090THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4548)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ALA-038VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.1607)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ALA-041VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.2615)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ARG-031GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-17.6390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028GLU-072HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-24.7264)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028GLU-097LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-114.3005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-036LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5086)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-091VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4666)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-106VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.7492)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-151VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-037VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7299)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-055LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.2583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-058ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8616)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-059ARG-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7678)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-061GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-133PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6952)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LYS-067TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.6140)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LYS-317ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-21.2170)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028MET-031ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.0513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028MET-037ARG-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7895)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028MET-040HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.4776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028PRO-058LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7396)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028PRO-111LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0376)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028SER-055THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.7752)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028SER-056GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.8051)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-031THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=2.2533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-036MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=1.5067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-038VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6161)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-058PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.3914)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-085GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4651)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-086ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.2415)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-105PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7590)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-128PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.2342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-170LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.0266)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ALA-274ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6635)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ASN-034LYS-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-27.2474)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ASN-179SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.1462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ASP-070ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=81.6258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029GLN-033ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=5.0279)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029GLU-045LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.3924)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029GLU-055SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-18.9540)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-034VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5237)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-036PHE-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0957)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-040GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7145)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-045GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2065)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-095TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4549)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LYS-035GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.6132)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-094LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9559)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-101TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5800)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-103HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5408)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-168TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.2056)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-177ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PRO-085GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-10.9710)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029THR-121TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5823)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029THR-121TYR-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.5773)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-302SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9971)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-305ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.6973)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-308ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-8.9444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-315PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TYR-049GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.3427)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029VAL-036VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5106)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029VAL-054LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.2611)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029VAL-087LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.0701)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ALA-274ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8306)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ASP-320ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-101.3986)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLN-034TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.8079)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLN-034TRP-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.4775)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLN-036MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.1307)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-033GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-16.1571)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-034ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=67.2575)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-038PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1866)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-042PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9376)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-049PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-5.5277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-061LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-115.2933)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ILE-034LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5950)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ILE-055ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=1.2492)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ILE-093TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1375)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LEU-034LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5829)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-078TYR-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-7.2490)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-083GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-119.1610)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-085GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.7780)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-169THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-16.2627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-042LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8266)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-044ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8923)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-061GLU-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3392)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-151ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.6248)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PRO-057MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.2420)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030SER-109GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-17.9191)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030THR-121LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.8990)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-033THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4889)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-036PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.3578)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-042GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-20.8819)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-046LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.8724)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-073PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-079LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-103PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.6466)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-171THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8123)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-176SER-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-5.8917)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-212GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-18.1145)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-213GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-5.0368)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-216SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2269)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-217THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030VAL-033VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.0914)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030VAL-044LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5234)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030VAL-050ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ALA-088VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3280)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ASP-034HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=19.7474)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-035LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9737)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-037SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-5.9208)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-109LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-125LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9846)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-128GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-15.5599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ILE-034ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5639)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ILE-097TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1532)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ILE-246ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.1399)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-091LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3694)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-125LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5829)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-168LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6903)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-213GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.6066)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-060THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-061ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1427)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-062HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-076ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5716)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-092TRP-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.8535)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-095TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.4696)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PRO-097VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4047)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031THR-085GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-17.2643)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031THR-128PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6405)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-060ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-23.6246)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-164VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.9374)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-168GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.4736)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-168GLN-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.3512)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-171ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3451)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TYR-037PHE-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.0133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TYR-048HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.5127)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TYR-051GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.5376)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-056PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8954)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-068LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-071VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6487)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-073VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5970)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-077ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032ASP-040HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.8465)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLN-116ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-21.3346)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLU-035ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-115.2171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLU-169THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.4224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLU-169THR-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-17.1683)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032ILE-036GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032ILE-065LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.7566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-080GLU-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-107.7010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-083LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9093)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-091LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.6793)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-091LEU-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5721)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032PHE-058ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.2988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032PHE-081VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032PHE-095LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032SER-057GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-16.4373)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032THR-093LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032THR-094LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9177)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032THR-128LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3682)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-062ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7962)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-073PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.2041)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-074VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9414)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-083ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-7.7550)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-042ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.4066)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-052VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-056HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8652)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-068LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4867)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-080ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.2363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-100VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.2682)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ARG-189PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.2749)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ARG-191LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7535)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ARG-191LEU-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.2348)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ASP-276SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-17.6963)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ASP-279LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-122.1435)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ASP-279LYS-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.8175)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033CYS-047TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.3988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033GLN-092ASN-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-8.0408)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033GLU-036ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-117.0812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033HIE-060MET-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.3658)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033HIE-062THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=4.4678)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ILE-037ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.9775)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ILE-061VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6621)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-053VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7195)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-059ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8672)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-061PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0106)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-089ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7304)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033PHE-058PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1260)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033THR-100GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.0811)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-062HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-091ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-8.3866)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-094ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7023)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-094ILE-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033VAL-048ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033VAL-055VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3096)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033VAL-091ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6471)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ALA-133LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9055)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ALA-152GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.1595)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ARG-060TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-15.9766)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ARG-064LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.8431)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASN-076SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6310)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASN-078TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.2229)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASP-037PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.9361)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASP-061ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-82.2718)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034HIE-057HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ILE-037TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4426)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LEU-038TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2253)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LEU-044TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5054)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-068GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-108.8294)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-070TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0959)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-070TRP-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0755)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-086TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6281)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-086TYR-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-6.8861)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-045TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.8121)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-058CYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.9381)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-062HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9520)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-069MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.2085)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-072LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9295)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-100VAL-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.4296)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PRO-065ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7815)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PRO-075PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4458)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034SER-105LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5547)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TRP-037TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.1461)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-136ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-143MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.0662)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-148VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6053)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-277TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.4170)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-046LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-048PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7022)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-072VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4309)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-077LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3019)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-111LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9331)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ALA-065LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8324)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ALA-067ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.1317)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ARG-041THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-13.2648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ARG-042VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7961)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ASN-172GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-10.6687)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ASN-174TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2586)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ASP-046ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-98.9596)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035CYS-038CYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=2.3902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035CYS-154THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.5069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035GLU-189PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035HIE-059ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035HIE-059ARG-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-6.1471)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035HIE-061ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.3281)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LEU-061PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8359)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LEU-085LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4787)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LYS-083TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.4239)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LYS-090GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-6.1338)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-047TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.4775)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-062THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.8946)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-097LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3975)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-111PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.2221)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-128PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.5987)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035THR-112LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7810)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-045HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.2718)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-058PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.1470)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-064ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8832)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-157VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4926)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-161LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-16.5986)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ARG-042GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-109.9813)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ARG-162GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-18.9303)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036CYS-039CYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.2247)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLN-040HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.1729)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLN-105LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5413)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-039ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-118.9648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-039LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-113.9654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-045LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1693)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-053VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6355)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-056ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-81.6833)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036HIE-063LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.8611)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ILE-040THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.8015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ILE-061ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7597)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ILE-063TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7495)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-039MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9625)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-041ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4071)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-046PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-046PHE-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6395)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-047TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0447)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-098ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036MET-049LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.0779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036MET-054VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=3.1141)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036PHE-075SER-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.2515)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036PHE-113ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-5.3617)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036PHE-303TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7978)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036SER-069THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.2119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036THR-090GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-19.5132)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036THR-104MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036THR-133PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5524)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036TRP-047PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1799)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036TRP-049PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0109)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036VAL-060TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4198)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036VAL-070TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.3035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036VAL-086TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9024)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ALA-056ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4138)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ARG-152GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-119.3672)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASN-040THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=3.0345)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASN-067GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-6.2251)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASP-040ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-79.7422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASP-064TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-18.7420)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037HIE-050GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-24.3173)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-116PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7804)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-125LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-162PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6579)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-165VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037LYS-162PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037PHE-048HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.8150)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037SER-043ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-6.3226)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037THR-053ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.5621)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037THR-085LYS-2', method='DWCCSDTF12', mode='CP', basis='adz', value=0.7332)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-050ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.5664)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-053LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2744)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-055LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-15.0635)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-055LYS-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9262)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-046THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0501)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-050LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.7779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-066LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0741)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-068VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0209)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ASN-199LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5168)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ASN-202PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.1523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038CYS-095PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038GLN-042ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-21.7545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ILE-085ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ILE-094LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.0536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-045PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8332)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-047TYR-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-054LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5392)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-109SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6605)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-109VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.1754)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LYS-047PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.2569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038MET-041LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4798)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038MET-146PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.5030)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-042PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.2180)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-042VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0455)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-046ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.2357)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-049PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5359)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-061VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-061VAL-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2766)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-101PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0787)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PRO-108ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.8922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038THR-053PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-063TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.9416)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-065PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.7832)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-068TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.2857)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-073ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5678)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-078ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8944)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-081TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.8946)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-082ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3631)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-132ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1837)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TYR-060TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.8623)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-041VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.2160)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-072PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-082PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8228)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-083ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.1739)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ALA-095PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.2389)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ARG-043ASN-2', method='DWCCSDTF12', mode='CP', basis='adz', value=4.9518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASN-042ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-22.0738)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASN-081SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7228)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASN-083TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASP-057THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-17.3690)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039GLN-047ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-16.3043)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039HIE-057HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=8.5151)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-054LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0248)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-055TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0899)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-108ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8312)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-109CYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=2.1695)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039LYS-043HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0957)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039PRO-165PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.3570)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039PRO-166ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5567)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039PRO-199LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.2527)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039SER-054GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-17.8861)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039SER-067GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-19.2291)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-046THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-5.2734)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-077LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-079LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8244)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-083VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3454)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-052SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.0200)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-064VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1830)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-066LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.9714)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-066LEU-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.2320)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TYR-043ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.8336)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039VAL-083TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0226)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASN-073PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.9343)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASN-077TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.3334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASN-090ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-10.5804)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASP-065THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=2.0909)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040GLU-045GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-18.9531)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040HIE-103HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-10.1450)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040HIE-105LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.9695)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ILE-054VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4296)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ILE-057LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6169)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040LEU-063TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0696)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040MET-085ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.4894)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040PHE-052TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.4176)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040PHE-116PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.2834)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040PHE-133PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.8041)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-044TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3789)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-048VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7916)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-162GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6752)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-186TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6312)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-270TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7018)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-052GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.4006)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-055LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7043)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-121ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.3485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-121ILE-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5624)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-122THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.4598)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-045TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.7054)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-055VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-076VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2499)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-079ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-082PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040VAL-063VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ALA-047TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.4475)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ALA-081GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0259)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ALA-121ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3675)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ARG-051PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.6284)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ASP-084ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-92.9041)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041GLU-045LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-107.9693)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-058ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.0922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-061PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7074)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-107PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4527)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-107PHE-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3831)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-146PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6543)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-155PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8445)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-162PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0076)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-170TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6558)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LYS-045GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5108)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LYS-107PHE-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.3984)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LYS-110SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-19.1125)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-047SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-054HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.6001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-073ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6626)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-077LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9051)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-094LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-6.6977)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-094LYS-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.2617)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-104VAL-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7774)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041VAL-059LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7418)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041VAL-064LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.2093)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ALA-082ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.1884)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ASP-045THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-19.6533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-095PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-5.2970)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-101PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.4438)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-103PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-6.8594)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-121ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.8503)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ILE-049PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8884)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ILE-052PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ILE-056PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.9029)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-047ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4807)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-048ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-048VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8834)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-103HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7697)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-105LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4934)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LYS-049GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-123.5473)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-049PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-054PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.1221)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-056SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-061LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6661)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-064LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2837)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-074LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.1713)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-077PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-085PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7183)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-087LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2404)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-088ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.7181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-089ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1793)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-089MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.9273)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-092TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.7715)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-101VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042SER-058ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2506)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042SER-062ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=3.6650)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042THR-052ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.5976)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042TRP-049ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-12.6963)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ALA-073PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5252)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ALA-077TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2730)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ASP-054HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-25.4028)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ASP-058ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-119.6624)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ASP-062TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.1406)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043GLU-104ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.2763)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ILE-055LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.0081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-050PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8251)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-055THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5288)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-071PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8331)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-114SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5045)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-161TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.1412)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043MET-048ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4616)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043MET-060VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043PHE-065PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7449)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043PHE-068TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0833)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043PHE-073PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4302)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043THR-059LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-048GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.7346)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-049THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2065)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-068LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.2992)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-185HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.8351)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-186TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.5609)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043VAL-066LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.2872)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043VAL-069VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ALA-052ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ASN-048THR-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-5.6534)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ASN-059THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.2387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044GLN-061LYS-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-28.3302)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044GLU-084ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-95.2174)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044HIE-067HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.8753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044HIE-073TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.7075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044HIE-086GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-25.5580)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ILE-101HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4457)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-079VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4048)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-101ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5235)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-272GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0784)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-272GLN-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044MET-061VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6857)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044PHE-048LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2230)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044PHE-130VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.0844)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044PRO-053ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.8351)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044SER-093ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-14.3443)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044SER-118ARG-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-10.7845)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044THR-118TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2624)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TRP-048TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.7045)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TRP-085PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.2607)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TRP-147TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-048LYS-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-15.9475)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-059ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2180)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-077LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5794)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-109LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4515)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044VAL-174MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4816)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045ALA-054HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7100)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045ALA-071HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.2430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045ASP-081GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=88.9416)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045GLN-062LYS-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-24.5031)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045HIE-051GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-23.6890)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045HIE-053ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.1503)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-049GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.1026)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-049TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.0595)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-054PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-055ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.8832)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-070PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1112)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-097LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8661)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LYS-048GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.7386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LYS-084GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-72.3858)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-057GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-7.8193)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-061VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5154)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-066PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.9378)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-075LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-10.1858)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PRO-080VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4588)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PRO-100VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5920)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-048ALA-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6126)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-066VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4728)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-097SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-168LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-048ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9355)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-049ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1114)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-100VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9375)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-272GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.8510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TYR-053THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0464)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-050ASP-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-95.8215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-092TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.6800)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-182GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-77.0821)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-273GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-114.6583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ASP-083ASP-2', method='DWCCSDTF12', mode='CP', basis='adz', value=55.2412)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ILE-071GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6534)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ILE-074LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=10.3022)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046LEU-068ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4471)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046LEU-103PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0498)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-050LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.0071)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-084LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.8731)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-088MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.8653)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-107PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.8386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-119GLN-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9965)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-121LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7550)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-161TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.3357)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PRO-140ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4512)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PRO-141ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8477)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046SER-054PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.3252)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046SER-088ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-6.0849)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046THR-069ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.1892)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046VAL-094PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ARG-050GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-82.1576)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ARG-059MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4309)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ASN-062LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6882)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ASN-276PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1475)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ILE-064LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3957)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047LEU-055LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.2922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047LYS-059ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-114.3688)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047PRO-164TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.9639)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047SER-065PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TRP-081GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-9.5394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TRP-083TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0900)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-052PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2263)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-053ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=1.2378)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-055ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1479)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-058TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.2602)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-075ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.9422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-077HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-111PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-136TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=2.6079)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ARG-060MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6658)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ASN-052ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.8401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ASP-081THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-19.7689)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ASP-131LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-115.6036)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048GLN-070SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-052PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5143)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-091ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-6.3724)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-099HIE-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.0111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-174MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.7628)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-178ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-26.6074)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ILE-052ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9764)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ILE-272GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9465)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ILE-279ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9939)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-070PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-070PHE-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1196)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-074TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.8284)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-074TYR-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5972)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-077GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6960)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-141PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3124)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LYS-082ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8332)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LYS-098GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-110.5362)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048PHE-058PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.9352)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048PHE-101LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7045)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048PHE-105TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.8585)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048VAL-093THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.1847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048VAL-095LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6028)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048VAL-099ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ALA-092TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2781)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ARG-167GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-21.0407)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049GLU-080ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-92.8157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ILE-059ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.4597)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ILE-070PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0300)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ILE-100VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LEU-054VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LEU-107PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6933)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LYS-121LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8720)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LYS-158ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-6.7514)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-056PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-057GLN-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.3124)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-091ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-093VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.8393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PRO-052TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0370)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049THR-053LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6610)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049TYR-054PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4126)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049TYR-098GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=3.3344)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049TYR-102ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.5767)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-053THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-124GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7257)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-127LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-131VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6639)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ALA-081PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0577)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ARG-054THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-12.2014)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASN-083TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3920)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASP-053THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-19.0543)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASP-067PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.8119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASP-092TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-24.3534)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050GLN-055TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-5.8867)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050HIE-065PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.3403)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050HIE-087TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-10.8806)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ILE-053ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6104)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ILE-071PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8233)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ILE-079VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.0910)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050LYS-056GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-112.1418)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PHE-071PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PRO-053TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6008)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PRO-058PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7976)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PRO-096TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.2430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050SER-066PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1626)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050THR-143THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.2287)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050TRP-054GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-6.8218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050VAL-054THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=1.6151)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051CYS-154LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-7.9953)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051CYS-156THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=1.8291)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLN-089GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-5.5483)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLN-089GLU-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-24.8448)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLN-098TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.5148)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLU-056MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLU-056MET-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.3658)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051HIE-277ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-24.0754)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051ILE-068LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0828)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-055ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.9862)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-080ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.9775)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-096TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.9118)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-131LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0044)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-058VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4286)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-091ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-5.7592)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-091ARG-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.8980)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-175PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3428)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051THR-152PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2414)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-093VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5711)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-095LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7226)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-097ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-7.4191)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-097ARG-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.4362)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-107PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.3391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051VAL-071ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6941)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051VAL-104ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ASN-061ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-7.1239)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ASN-143THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=1.6246)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052GLN-069ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-10.1117)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052GLN-117PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1333)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ILE-056GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2620)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ILE-087VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.1081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ILE-100VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.2011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-060LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5064)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-062PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-062PHE-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5965)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-070PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8965)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-141PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4219)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-152PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7503)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-056MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.0288)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-061CYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-071PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3672)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-073THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-075ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3836)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-111PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-141MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.4487)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-148ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-157ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PRO-109LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6588)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052SER-063PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052TYR-058PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.8363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052TYR-061ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-24.9953)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052TYR-116PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.9963)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052VAL-057SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.2950)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ASN-063SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.4414)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ASN-131VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ASP-058TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9683)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-066LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.1414)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-069PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2470)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-075LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.1742)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-077LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053LEU-057PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0578)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053LEU-091ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6903)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053MET-140ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-6.1445)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053SER-089GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-19.8438)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-059LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-083ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-25.6257)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-092TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.6136)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-094LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0758)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-142ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3758)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-169MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.7517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-057ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.3222)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-068PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5449)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-074ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7750)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-117PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054ASN-069PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.6831)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054ASN-141ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=1.8354)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054GLU-057ARG-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-94.2390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054GLU-058ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-118.2177)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054GLU-141GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-13.4574)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054ILE-074ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.2430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-061LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8978)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-063PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4846)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-069VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4279)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-091LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9074)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-091LEU-2', method='DWCCSDTF12', mode='CP', basis='adz', value=0.3115)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054PHE-101ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7758)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054THR-057ASP-2', method='DWCCSDTF12', mode='CP', basis='adz', value=0.9965)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054VAL-091ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.1953)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054VAL-097ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5018)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASN-058GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-5.4553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASN-058TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.8404)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-069ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-118.2940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-104LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-86.7718)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-105TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-10.7908)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-185ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-112.4899)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055GLN-272GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=5.7168)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055GLU-121LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0996)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-059ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7728)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-061CYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-151THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0579)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-155ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=1.0985)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055LEU-060VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7897)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055PHE-139ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055PHE-141GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055PHE-141GLN-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.8858)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055SER-071PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6144)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055SER-152PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.9465)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055THR-072THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.3051)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055VAL-059ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ALA-061VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5439)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ALA-175PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8339)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ARG-061LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056HIE-287LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0946)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056HIE-287LEU-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ILE-059PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3756)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ILE-059PHE-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056LEU-069LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4798)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056LYS-160ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-109.9175)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056MET-059MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056MET-181ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9509)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056PHE-062PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5245)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056PHE-129PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056PHE-152PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3644)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056SER-076LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5473)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056TYR-062TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.0153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056TYR-064VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.2314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056TYR-084ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0399)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057ARG-067VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4972)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057GLU-061ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-88.9383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057MET-060MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2227)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-060LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-066ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-098VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7264)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-116PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3002)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-163ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PRO-063TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6879)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057TYR-091LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.8086)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057VAL-084ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.6490)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057VAL-084ASP-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.3444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057VAL-181ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2152)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ARG-062LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9621)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ARG-141GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-10.3083)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ASP-279LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-108.9894)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058GLN-067PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7178)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058GLN-067PHE-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1778)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058HIE-067GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058HIE-115GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.4231)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ILE-097TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.9405)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LEU-071VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9068)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LEU-084LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.1452)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LEU-094GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8159)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LYS-122VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.3950)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-062ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0078)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-062TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.7812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-070TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.2315)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-081PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.4842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-101ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.4091)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-131VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TRP-084SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.6630)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TRP-180SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-062GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-062GLN-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.6450)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-062LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-8.6990)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-066VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-068ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7775)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-077ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1943)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058VAL-085ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.2902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ARG-065MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6150)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ARG-067GLN-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-23.5397)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ASN-062LYS-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-27.6003)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ILE-068ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7595)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ILE-094LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6558)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LEU-117VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8738)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LEU-117VAL-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3166)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LEU-119GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7275)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LYS-063ASP-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-116.3326)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LYS-075TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-7.6190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LYS-135ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.5565)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-063ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.9701)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-118THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-120TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.9981)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-127ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059THR-088TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059VAL-084LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059VAL-136TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5835)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060ALA-081LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7206)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060ASP-165ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=77.2599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-068PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7247)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-095PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0305)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-095PHE-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0093)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-098VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5252)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-120VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1682)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-152PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060MET-070GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.4263)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060THR-087LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-18.0101)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060THR-176ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-12.9282)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060TYR-064LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2502)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060TYR-128PRO-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7715)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060VAL-063TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1976)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060VAL-157PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9131)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ALA-080ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.1899)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ARG-083GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.6793)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ARG-083GLU-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-91.9953)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ARG-084LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5116)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ASN-065ASN-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-5.0293)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ASP-065LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-6.7747)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-080ARG-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-78.3153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-088PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-5.2362)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-142MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-8.3032)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-145LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.8824)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-064PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8464)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-086ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2096)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-089MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-091ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.1071)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-092TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-098LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-155ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.7312)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061LEU-065MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6239)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061LEU-079ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-068VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6982)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-086VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2443)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-086VAL-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8068)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-099ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.4643)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-117VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8245)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PRO-088PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061THR-081THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061THR-083GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-16.1016)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061TYR-066LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.3765)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061VAL-064TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4357)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061VAL-066VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.2066)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061VAL-068ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9851)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ALA-070MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3237)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ASP-080ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-86.9806)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-110GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-6.8481)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-112PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5425)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-171PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=1.6169)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-173TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.7443)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-173TYR-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.9270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-070GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-8.1037)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-072LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0300)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-073TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=3.6405)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-076ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8169)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-067ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3519)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-069TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.2825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-105TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5701)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-107PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9282)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LEU-075ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3700)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LEU-077ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LEU-079LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LYS-067PHE-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.9659)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LYS-147GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.5772)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062PHE-120TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062PHE-128PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.1490)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062THR-099ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-9.9674)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062THR-102HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3934)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TRP-073ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.8838)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TRP-164PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.5614)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TRP-166PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3101)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-077PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.5493)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-083GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-22.7260)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-084ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2136)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-093ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5720)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-095TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.5110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063ASN-081THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.3876)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063GLN-067ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=12.2473)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063GLN-136TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.6813)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063GLN-165ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-10.1222)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063ILE-077LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063LEU-068HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5489)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063LEU-108LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6407)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063LEU-140LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.2687)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-090GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7859)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-090GLN-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0756)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-091ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9731)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-094VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0557)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063THR-092TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5697)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-081TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.8271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-085MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.6400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-098LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4790)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-136PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6835)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063VAL-067LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063VAL-154THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6136)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064GLU-111TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6495)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-072PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4688)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-084TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.1327)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-084TYR-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.3158)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-090TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2350)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064PHE-097PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4099)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064PHE-123THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1014)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064PHE-125TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.2828)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064SER-171PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=1.3765)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064THR-116PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8691)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-068LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-5.3522)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-078PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.6901)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-082VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-083LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-164PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.9191)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064VAL-073ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.2080)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064VAL-143GLN-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.9004)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065ALA-070PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8151)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065ASN-110GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.5606)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065ASP-110GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-5.4522)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065GLN-088TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4160)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065LEU-077VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6434)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065LEU-080VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1034)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065MET-117PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.3529)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065PHE-095LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7712)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065PRO-101LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6114)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065PRO-111TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.0699)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065SER-068TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.2771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065SER-108TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0414)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065THR-069ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6128)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065THR-082LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2764)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065TRP-146THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1438)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065TRP-154THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6869)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065TYR-090PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0578)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ALA-084ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ALA-136TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3564)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ARG-167GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-118.5165)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ASP-069ARG-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-93.5224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066GLN-070ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.9685)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066HIE-069GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.7448)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ILE-146VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7056)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066LEU-073PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066LEU-138THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5589)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066PHE-075LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8689)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066PHE-109SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3159)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066PRO-095TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.4859)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066TRP-109TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.8876)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066TRP-110PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.9995)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066VAL-085ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.0814)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067ARG-077ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.0768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067ASP-070ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.4675)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067GLN-115GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-6.0623)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067GLN-117PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.7374)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067GLU-139TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.1057)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067HIE-070HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.9205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067HIE-086GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.6379)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067LEU-078LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067LEU-107LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6901)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067LEU-109VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5694)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067PRO-095TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.7319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067PRO-101ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6669)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067SER-073TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067THR-080TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1214)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067THR-082VAL-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9495)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067VAL-085ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=1.5748)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ARG-072THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-12.5145)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068HIE-075LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-10.7364)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068HIE-080GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=1.2527)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068HIE-123ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-25.8970)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ILE-072LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.3048)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ILE-084TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.9428)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ILE-091LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.1045)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068LEU-081VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5144)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068LEU-146PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1944)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068MET-131LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.1526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-076LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0782)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-076LEU-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2787)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-077ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6183)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-077VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8718)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-080LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9298)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-080VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0403)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-083LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8810)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-110LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8610)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068TYR-073ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0076)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068TYR-078ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.3711)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068TYR-082HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7939)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069ARG-075ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0620)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069ASN-119VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7738)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-076ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-076ILE-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-6.7660)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-078ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-117.4820)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-123ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=61.3419)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069HIE-075ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069HIE-078PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.2868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069ILE-101ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.3629)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069PHE-078GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-6.1085)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069PHE-080TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.4171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069PHE-166TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=1.3304)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069THR-080LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5615)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-073TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.7674)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-086GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-086ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6408)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-114VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070ASN-080GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=7.2652)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070ASP-076THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-15.2807)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070GLU-073LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070GLU-073LYS-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-92.6518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070MET-075ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0447)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070PHE-120TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.7367)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070SER-082VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070THR-120ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=5.3293)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070THR-124THR-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.7101)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070TRP-084VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0677)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070TRP-138LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.5441)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070TRP-174PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.4267)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071ASP-074LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.1047)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071LYS-195ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.4484)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-080ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0213)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-080LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0094)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-086ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5511)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-108ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0863)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-114SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3685)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071SER-082HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-5.6778)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-076LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-078GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-5.0468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-099TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-6.6412)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-100SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.9601)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-125PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.2897)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-165ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.2990)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-166TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.3430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-077ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-083ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5004)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-085ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-119VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.0053)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ARG-116ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-94.0365)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ARG-118TYR-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-6.1435)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ASN-075ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-18.6528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072HIE-093TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0844)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072HIE-095PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.1814)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-077PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4054)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-082HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.8415)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-116PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-116PHE-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5784)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072THR-175GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9454)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072TYR-076ARG-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4724)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072TYR-127ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072VAL-176PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7228)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ARG-076LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.3468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ARG-119ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-102.9465)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ARG-163ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5029)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ASP-135ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-111.1884)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ASP-193VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.4905)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073GLU-077ASN-2', method='DWCCSDTF12', mode='CP', basis='adz', value=0.1077)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073GLU-119SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-19.1943)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ILE-128ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0308)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073LEU-120TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9690)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073PHE-077TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.7288)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073PHE-079LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7665)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073SER-090SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5730)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073SER-178SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.2835)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073TRP-089TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.4010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073VAL-111ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0872)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ALA-083TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-130TYR-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-135SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3192)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-135SER-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-12.4998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-136GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.6790)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-147TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-147TYR-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-6.0722)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074GLN-094ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-5.8947)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074GLU-096ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-61.6780)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LEU-079TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1621)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LEU-102PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LEU-107PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.4367)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LYS-127ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074PHE-080LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.3481)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074PHE-083HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.8600)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074SER-091PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6968)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074SER-111GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-20.7795)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074VAL-080TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.4608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074VAL-083ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8746)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074VAL-190LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4188)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075GLU-079GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-12.7841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075GLU-079GLU-2', method='DWCCSDTF12', mode='CP', basis='adz', value=75.5548)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075ILE-080ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7323)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075ILE-112LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4821)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075LEU-094ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5772)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075LEU-111LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3213)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075LEU-111LEU-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3425)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075PHE-093PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7018)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075PHE-182ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.2649)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075PHE-184PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3461)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075SER-078TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5054)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075SER-111ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-17.1290)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075TRP-176ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.5691)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-079GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-96.8200)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-120TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.7381)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-208TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7389)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-208TYR-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-6.1287)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-084LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9511)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-089TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-26.0504)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-091PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3978)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-188GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-20.5429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076GLU-170LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.8643)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ILE-094ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3817)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076LEU-086MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.1640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076LEU-117ILE-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.0756)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076LEU-123THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076PRO-111TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9774)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076PRO-112LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.0705)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076SER-082PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4859)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076THR-090SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-5.4440)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-125ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.3941)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-125ILE-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3276)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-136TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.9130)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-139ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.1438)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-143TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-5.3220)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ALA-096ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0895)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ALA-138ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4544)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ALA-138ARG-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.1347)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ASP-080ARG-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-85.4782)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077HIE-111LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0447)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-102PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9435)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-112ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-125VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1079)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-128TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0977)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-128TYR-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5209)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077LEU-093VAL-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.0965)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077LYS-178VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.5760)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077LYS-186ASN-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-19.4499)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-089PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.5810)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-093ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.0482)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-097LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5463)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-116PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7941)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-160VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7358)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-162PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-201ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-6.5861)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-205GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-8.8781)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078ALA-126VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078ASP-157LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-104.3995)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLN-085LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4524)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLN-088GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-20.9232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLU-099THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.2552)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLU-127GLN-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-23.5685)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078HIE-081PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6662)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078LEU-108VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.2073)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-082VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-096ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9905)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-104TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.5343)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-107ALA-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9590)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-108LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1240)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-179LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0751)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-215ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0043)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-218LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8287)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-218LEU-2', method='DWCCSDTF12', mode='CP', basis='adz', value=0.1428)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PRO-115PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4777)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PRO-186ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.6495)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078SER-184PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.7399)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078TYR-082PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.9967)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ARG-083ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-98.1505)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ARG-182ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-110.8318)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ASP-131HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-27.6819)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ASP-135ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.9581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079PHE-089PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4381)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079PHE-100THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079PHE-104LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3817)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079SER-088ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7670)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079SER-208TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4853)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079THR-089LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079THR-089LEU-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079THR-110THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-5.3103)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-084PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.4078)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-109VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8289)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-112LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-112LEU-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0918)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-146PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.5379)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-153TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.8062)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-167GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=1.3342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079VAL-087LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3124)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079VAL-094ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ARG-088PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.8978)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ARG-090ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.4216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ASP-087LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-112.3725)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080GLU-092ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.2970)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080GLU-155ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-119.4618)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ILE-112LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5230)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080PHE-085LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0721)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080PHE-098SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5504)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080PHE-166PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0143)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080THR-090ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.1252)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-088LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-090TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.2158)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-095ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0578)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-108LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.5203)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-136ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4990)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TYR-129TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.3098)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TYR-172GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=1.0793)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ALA-088ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASN-084LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.8462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASN-085SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3373)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASN-100TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-6.0235)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASP-092SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-18.9094)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLN-085ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-22.4872)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLU-101ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=5.5045)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLU-103GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLU-103GLN-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-14.0038)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081HIE-202PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.0235)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ILE-085ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.6947)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081LYS-105VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.9651)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-106CYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=12.8631)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-134GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4980)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-134GLU-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-8.9372)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-138ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.9519)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081SER-087PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081TYR-085ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0077)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081TYR-130VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6418)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081VAL-105TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081VAL-149HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3750)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ARG-088PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.9960)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ARG-088PHE-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.6154)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-121LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5341)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-135ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8675)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-136PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5502)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-186VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9131)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082LEU-176PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7898)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082PHE-091ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.8786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082PHE-102TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.9050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082PHE-104VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9696)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-108LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-126SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5461)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-127PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.8191)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-130VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ASP-089HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-23.5206)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ASP-105TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=3.5666)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ASP-136ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-94.1661)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083GLU-094TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-7.4681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083HIE-086GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-25.5568)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083HIE-089ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-25.3240)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ILE-155ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7068)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ILE-173LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-087LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2184)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-088TYR-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6306)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-101GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-108VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5122)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083THR-086MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.6987)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083THR-087GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083TYR-087PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.0848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083TYR-094TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4226)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083TYR-096ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7672)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-087LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7986)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-094PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8530)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-094PHE-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7580)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-103TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5749)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-140TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0178)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-153PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.2344)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ARG-089ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-87.7332)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASN-099LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4325)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASN-103TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-8.4177)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASP-087PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.6259)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASP-107ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-14.1115)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASP-126VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.4460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084CYS-090LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-11.0189)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084LEU-090LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084PRO-122PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2762)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084PRO-135PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4754)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084THR-107PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.8700)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084THR-108TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084TYR-089ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.5734)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084TYR-095LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3117)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085ASN-099TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5058)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085HIE-094TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.8593)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085HIE-101TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.7057)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085ILE-089ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4621)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085ILE-103LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2993)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-094PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-108LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4636)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-137ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1616)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-138LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7544)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LYS-088GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-111.6024)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LYS-094TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.2781)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085MET-136PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1091)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085PRO-090LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8828)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085TRP-089ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.0173)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085TRP-135LYS-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-7.4178)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ALA-101GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7863)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ALA-104TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9409)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ALA-136PHE-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-091ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-6.3410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-092TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-6.7466)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-112TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-11.0948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-115ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-112.1469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086HIE-089GLU-2', method='DWCCSDTF12', mode='CP', basis='adz', value=14.3325)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086PRO-090ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4709)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086SER-136TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.3952)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086VAL-105LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086VAL-116VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6480)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087ALA-171PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.0684)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087ALA-173TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087ASN-091LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=3.4184)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087CYS-119ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=6.3306)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087CYS-121LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.2147)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087GLN-139ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-6.6214)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-095PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4167)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-095PHE-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1941)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-096TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0763)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-109VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4639)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-153PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.1961)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087PHE-126VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087PHE-186VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4829)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087PHE-188VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0324)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087VAL-102LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.0444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088ASN-092ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3817)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088ILE-135LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.2333)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088ILE-135PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4276)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088LEU-108ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088PHE-092LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9398)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ARG-106ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-92.6073)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ARG-108TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-12.3713)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ARG-131VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.3313)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ASP-092PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-5.3375)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ASP-112ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-14.0220)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ASP-131VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.5284)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089CYS-105LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089GLN-117PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.9948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089GLN-125TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6276)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ILE-112TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7304)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089LEU-127VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0158)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089THR-098LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5667)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089THR-098LEU-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089TYR-094TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089TYR-153VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5962)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ALA-121PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6381)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ARG-187SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-8.0151)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090GLU-119ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-101.7811)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ILE-099LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ILE-107SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ILE-190VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090LYS-122ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-5.8080)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090LYS-122ASP-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.8019)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090PRO-129TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090PRO-154VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5105)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-095ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-8.4900)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-095ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2849)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-099ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-105LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7395)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-112GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=5.7825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-113ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.3345)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091ASN-096TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-7.2152)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-098SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.6028)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-118THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-118THR-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.5686)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-121LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0552)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-122ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=11.1767)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-125HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1237)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-127VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091LYS-140SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8971)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091LYS-140SER-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-16.9569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091THR-094HIE-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-6.6153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091VAL-094ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.1403)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092ALA-164GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7017)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092LEU-095HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PHE-099TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.6326)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PHE-120VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7974)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PHE-131VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9655)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PRO-102HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5126)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PRO-133LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0178)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092TRP-100GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=22.5856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092VAL-117PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ALA-099THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ALA-164ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.5231)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ASN-096LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ASP-097THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-22.0030)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093HIE-118GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.9890)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093HIE-120ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5846)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093PRO-184PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5291)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094HIE-099THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4361)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094HIE-104PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.7698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094ILE-114TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9746)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094LEU-132VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8240)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094LEU-182MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8246)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094LYS-112ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-122.1809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094PHE-098ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.1870)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094PHE-141ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6692)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094PRO-135MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8307)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094TYR-097THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3614)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094TYR-151VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8693)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094TYR-153VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7208)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094VAL-125TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094VAL-152LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.0961)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094VAL-166PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4018)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ASN-164ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-23.2849)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ASP-102TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=4.5531)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095GLN-098TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0416)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095GLN-185THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9306)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095GLN-187ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-6.2214)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ILE-120TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6504)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ILE-120TRP-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ILE-144THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5532)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LEU-103ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4540)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LEU-130VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6476)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LEU-133LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6734)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LYS-107ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8945)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LYS-109THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-14.8710)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LYS-127ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-6.3152)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-099LYS-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.5659)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-118ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7987)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-154ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2663)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-160VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9378)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-160VAL-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4605)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095SER-114THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1239)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095THR-182ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=1.6320)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095TRP-099LEU-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095TRP-104VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8030)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095TYR-106TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.4444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ASP-100ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-21.7372)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ASP-101GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-22.6322)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096GLU-121LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.2509)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-101GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.3442)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-103SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-5.5570)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-126LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7794)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-127ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=11.9139)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-132VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3659)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ILE-127VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3293)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ILE-127VAL-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.0907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096TRP-110LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0537)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096VAL-105LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.1216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096VAL-108THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7589)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ALA-105LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5683)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ALA-117HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9360)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ASN-102TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.0012)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097GLU-101ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-103.5816)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ILE-105THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9374)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097LEU-111PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1303)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097LEU-113ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=1.4128)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097LEU-128PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PHE-103ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.1760)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PHE-181TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.7775)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PHE-183ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9906)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PRO-106ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5310)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TRP-145LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TRP-173TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.1194)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TRP-213ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0676)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TYR-101TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.8057)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TYR-179LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.5487)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TYR-179LYS-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.6662)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097VAL-112TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098ILE-145ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5837)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-101VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9404)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-115SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0104)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-117ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4996)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-136PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9108)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-144VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4637)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-144VAL-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5548)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-146TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0548)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098PRO-101GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4586)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098PRO-102ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.0332)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098PRO-114PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7817)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-112PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.1243)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-127VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.0728)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-138TYR-2', method='DWCCSDTF12', mode='CP', basis='adz', value=2.5223)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-164ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-17.6283)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-101GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1399)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-105TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6858)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-152ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6981)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-286TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8115)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-287LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-102HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.4841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-147VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7757)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-149ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5742)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-177ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-104.3155)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-216GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-87.7487)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099GLN-108GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.9864)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099GLN-148HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.4193)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ILE-103ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3732)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099LYS-104THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8019)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099MET-107ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9371)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099MET-126VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.1823)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099PRO-104TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.8467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099PRO-164PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0987)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099PRO-166GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.0388)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099TRP-118PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2716)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099TRP-272GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-24.5615)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ALA-112PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5820)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ASN-113LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9524)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ILE-103HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7993)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ILE-104LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.8938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100LEU-130VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6466)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100LEU-134ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3251)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100LEU-142LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3751)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100SER-119GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-20.6967)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100SER-131VAL-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0499)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100SER-148ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=2.0930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100THR-104LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5664)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100TRP-103LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-11.5521)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100TRP-103LYS-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3296)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100VAL-283ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5884)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ALA-104ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.1249)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ALA-128ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6597)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ALA-138TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4745)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ARG-142LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ASN-125HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.3422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ASP-145THR-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-18.8904)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ILE-110LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8803)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ILE-110PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5364)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ILE-123ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6876)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101LEU-111TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2663)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101LEU-125TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7416)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101LEU-132ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TRP-132VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9331)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TRP-135LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.7008)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TRP-177ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9114)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TYR-151VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101VAL-106LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8861)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101VAL-132PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3781)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101VAL-132PHE-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3004)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ALA-114PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.1256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ASP-106SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.6301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-109TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.8397)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-127GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7537)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-269HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.9868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-270TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0365)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-272GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-5.6000)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-110ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-145ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5448)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-149TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-149TYR-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.1515)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-153PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7522)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102SER-165LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-8.2328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102SER-169ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-18.1756)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102VAL-133PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8895)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ASP-149TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-22.4153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ASP-269HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-11.2499)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLN-108PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.7832)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLU-106LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-113.1101)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLU-108TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-20.7780)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLU-177ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=81.2839)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103HIE-168TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-11.3903)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ILE-110VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5458)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ILE-130VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5979)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ILE-132PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7609)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103PHE-122MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5096)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103PHE-127LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8628)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104ALA-125TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104MET-112ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0054)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104MET-133PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4944)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-107ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7159)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-129ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.3059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-147LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-166GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-22.1775)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-168LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-169PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1807)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-202PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.2188)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-205GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1354)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104VAL-108ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6261)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104VAL-112SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104VAL-126ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7147)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ALA-115GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5053)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ASN-139VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1044)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ASN-146GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.8799)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ASN-154ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=4.8319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ILE-128LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.2048)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ILE-131ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4951)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ILE-135LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6217)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105LEU-114TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.9992)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105LEU-168ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0007)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105LEU-175PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5557)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PHE-127LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9423)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PHE-130ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.9432)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PHE-130ARG-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6764)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PRO-128ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.1924)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PRO-181TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-8.4010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105TYR-149HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.5466)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106ASN-130HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=1.3779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106ASP-133GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=4.8468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106GLU-129LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-113.3805)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106ILE-168ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3354)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106LEU-126LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.2887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106LEU-149PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5605)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106LEU-149PHE-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0155)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106PHE-109PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.2706)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106PHE-178LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.4786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106SER-128PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.3835)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106TYR-112SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0601)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106VAL-112LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6174)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107ASP-125ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-24.2378)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107ILE-153TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9272)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107ILE-158MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0246)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107THR-125ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6140)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107THR-129LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-18.2089)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107VAL-147PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9636)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107VAL-147PHE-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9054)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108ILE-122VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6160)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108ILE-146GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108LYS-131ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3833)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108LYS-160LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.2046)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108PHE-125TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.8469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108PHE-127PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7182)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108PHE-150VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9326)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108TRP-151ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.9447)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108TRP-155VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109ARG-115GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-113.4451)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109GLN-161GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4929)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109GLN-161GLU-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-13.3489)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-113ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-181ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-182VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2838)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-185VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1554)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-228TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.7240)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109SER-137ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=1.5050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109THR-131VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1317)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109THR-158MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7448)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109VAL-164ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3600)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ALA-161PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7495)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ALA-164ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4976)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110GLU-129LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-114.6164)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-116PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0674)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-149ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1083)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-151VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0078)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-162VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8696)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110LEU-125VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3778)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110LEU-127ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3490)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-123ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.2655)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-128PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6691)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-222TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.3984)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-226LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1219)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-226LEU-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2182)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110THR-127GLN-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-6.0139)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110THR-129TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-5.5877)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111ASP-156SER-2', method='DWCCSDTF12', mode='CP', basis='adz', value=8.2661)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111ASP-193HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-10.3840)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111HIE-218LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.4299)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-116ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8663)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-130TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2903)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-158LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4512)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-169LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4458)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111TRP-115GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.3657)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111VAL-125ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ALA-128PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ALA-131VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8285)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ARG-115ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.8396)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ARG-125PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0670)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ARG-127GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ASP-183GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=83.8915)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ILE-125VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.1422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ILE-142ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112LEU-142PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2091)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112LYS-127LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9298)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112PHE-121LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112PHE-125HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4316)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TRP-119ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9946)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TRP-119ARG-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.1383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TRP-120VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5707)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TYR-125GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.2308)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TYR-128LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9380)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TYR-190ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-8.4313)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-118ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.0508)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-120VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-122VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3086)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-225TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0140)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ASP-195GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-14.6816)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-131VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4968)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-164HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2278)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-185VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.0981)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-190ARG-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.9896)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-232ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9598)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113LYS-117GLU-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.8092)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113LYS-170VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6957)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113LYS-173GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-123.9208)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113SER-120ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4085)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-119PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0813)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-124HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.9274)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-126ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9340)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-171ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-22.5712)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-178ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.2727)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TYR-124THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1384)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113VAL-120HIE-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.9927)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113VAL-143PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114ALA-160ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4874)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114ASN-122ARG-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8045)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114ASP-179LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.6297)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114GLU-144ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-8.0637)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114GLU-146ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-120.5400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114LEU-118ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4770)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114LYS-225TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0352)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114VAL-167GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.0888)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115ASN-124LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0845)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115ASP-156ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=83.3306)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLN-118ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.6601)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-123PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0746)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-123PRO-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.1106)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-160GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=62.2405)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-163TYR-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.3060)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115MET-168TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7704)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115PRO-129TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.6057)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115THR-138VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4360)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115THR-142GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-19.9749)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115THR-142GLU-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-17.9389)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115VAL-122MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6420)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115VAL-123PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7617)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115VAL-130ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.5293)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116ALA-162PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116LYS-144SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-8.8657)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116PHE-130VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4018)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116PHE-165VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9206)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117HIE-123PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4237)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117ILE-142PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PHE-125TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.1129)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PHE-130HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4560)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PRO-126ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8193)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PRO-129TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.8510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PRO-130LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4763)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117VAL-166ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ALA-160VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.2224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ARG-157ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=8.8957)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ARG-185ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=62.3016)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ASP-136HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-26.1733)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118GLN-121PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2808)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118GLU-173PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.6416)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118GLU-176THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-136VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4650)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-165ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3491)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-166TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1891)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-178TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0891)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118THR-121LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0372)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118VAL-162PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5475)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119ALA-160LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119CYS-168HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.5097)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119LEU-137ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.0079)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119LEU-137ALA-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119LYS-186VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6675)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119MET-144SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0038)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119PHE-124HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.7171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119PHE-176THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0491)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119SER-123ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.8903)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119SER-140TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119THR-123THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8984)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119THR-123THR-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3966)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119TYR-174ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0100)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120HIE-185ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120ILE-123TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-123ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5048)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-124ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.9282)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-124LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1986)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-135ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7076)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-171TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4193)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-171TYR-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LYS-138VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7302)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LYS-142ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-99.0919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120PRO-126ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4806)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120SER-136HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120THR-143VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.2930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120THR-147GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-20.1532)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120TYR-141PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2946)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120VAL-123ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7882)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120VAL-154ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7493)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120VAL-275LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4266)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121ASN-132THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1442)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121GLN-144ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-22.4122)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121LEU-125HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7245)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121LEU-125HIE-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7354)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121PHE-126VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2028)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121PHE-191LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7466)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121PHE-219TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121TYR-125LEU-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0634)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121VAL-157ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8880)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122ASP-125LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.9491)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122LEU-188VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4778)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122MET-126GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-8.1371)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122VAL-125ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3436)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122VAL-143VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122VAL-152PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6441)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123ALA-128VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4450)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123ALA-158ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=1.8001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123ARG-127GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.9037)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123MET-140ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123SER-182ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6355)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123THR-136SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.1486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123TYR-154VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9719)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123VAL-134LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3624)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ALA-156THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4179)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ASP-131THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=3.9916)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ASP-132THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-20.2981)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ASP-134ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-112.6539)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124GLN-200ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124HIE-140GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-24.9838)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124HIE-143VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5303)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124LEU-136HIE-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124LEU-181VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3567)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125GLU-192PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-5.3846)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125ILE-136TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7461)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125LEU-129LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125PHE-143VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TRP-138SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.3256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TRP-150VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1634)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TRP-152LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.9662)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TYR-164HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.0047)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ALA-140GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8305)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ASN-129ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.9800)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126GLU-130ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-104.9386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ILE-136PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7537)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ILE-139PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2279)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ILE-139PHE-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.6315)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126LEU-130HIE-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0947)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126LEU-162PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8853)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126LYS-158ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6077)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126PHE-132HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5512)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126PHE-171TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.6161)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126PHE-176TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.8177)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126SER-171ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6612)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126THR-197TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127ALA-177ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.3413)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127GLU-146ARG-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-97.4820)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127GLU-269HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1751)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127GLU-269HIE-2', method='DWCCSDTF12', mode='CP', basis='adz', value=12.7394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127LEU-210VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3962)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127MET-131LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3787)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-132ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-133SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-138SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6416)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-140HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.6491)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-158VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-183TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.3387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-206ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-237ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0178)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-239PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.0831)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128ILE-131LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5501)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128LYS-183TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.4685)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128PHE-235LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6756)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128PHE-252LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5838)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128PRO-275LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128TYR-158MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.0039)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128TYR-160LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1804)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128VAL-160LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7867)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129ASN-132TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.6825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129ASP-140HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-25.1610)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129ASP-148TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-155PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8916)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-192PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4248)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-195PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.1115)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-277TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.8793)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-277TYR-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129PHE-133VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8979)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129PHE-156ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-7.3817)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129PHE-166PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0173)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129TYR-133ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-8.5779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129TYR-136TYR-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.4348)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129VAL-159PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129VAL-184PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7274)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130ARG-170TYR-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.1648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130ARG-244ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0237)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130ARG-248GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-76.9272)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130GLN-134GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-17.0681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130GLN-137ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.1430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130PRO-135ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9822)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130PRO-139ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5634)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130PRO-180PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9867)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130SER-149HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-8.6816)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130SER-153TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-5.7079)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130VAL-139ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.2363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130VAL-162VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5399)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130VAL-185PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9854)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ALA-140HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ARG-134GLU-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-79.6830)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ASP-147PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5995)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ASP-182PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.5702)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131LEU-136VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.0394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131LEU-160MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7132)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131PRO-219VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131PRO-220GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.2519)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131THR-149LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5162)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ARG-136ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.6430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ASP-156ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-102.8135)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132HIE-135LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0202)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132HIE-147ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-25.9842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132HIE-149ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ILE-135PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8585)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ILE-138TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.0043)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ILE-146TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8961)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132LEU-198PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9267)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-162VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4781)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-174SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.8311)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-176VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2829)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-183GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.9829)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132TYR-136PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.8601)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133LYS-136ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-103.0952)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133LYS-198PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3805)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133PRO-151ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-5.1996)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133SER-161GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-18.0679)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133TRP-143MET-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.5193)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133TRP-148VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.5660)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133TRP-277TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.9833)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133VAL-137ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.7785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133VAL-146TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0373)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134GLU-138ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-104.6478)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134ILE-147ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.9446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134ILE-167LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134LEU-205TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5579)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135ARG-193VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0565)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135ILE-180PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LEU-139LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1044)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LEU-163LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.2081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LEU-179LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.2851)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LYS-157GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-105.4554)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LYS-177ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PHE-147TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.1578)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PRO-140SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PRO-144LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8710)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PRO-155PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5492)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135TRP-147GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-6.2127)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135TRP-208ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1060)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136ARG-142ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.2693)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136ASP-198PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-7.2168)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136ASP-201VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.2396)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136CYS-143PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.1328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136PHE-141ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7626)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136PHE-146TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.1760)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136SER-144ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-14.5048)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136TRP-155CYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3885)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136TRP-165ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-23.0093)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136TRP-179MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4417)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136VAL-169LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6155)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137ARG-154TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.6335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137ARG-154TRP-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-6.9157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137ARG-157GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-101.3128)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137GLU-143MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-5.0627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137SER-156ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8833)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137TYR-166SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.2651)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138ARG-142GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-92.7232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138ILE-156ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.8947)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138LEU-149PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138PHE-153PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.6667)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138SER-169VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7952)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138TRP-146PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.3590)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138TRP-243LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.1765)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138VAL-144ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6470)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139ASN-154SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-5.2288)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139GLU-144LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-116.3960)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139ILE-143TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2914)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139LEU-204TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139PRO-180PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3606)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139TYR-148SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4834)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140GLU-143VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.8965)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140GLU-155THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-17.0185)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140GLU-156ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-119.2510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140LEU-168LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.1367)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141GLN-160PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8521)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141LYS-144GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-111.2080)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141MET-155ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5107)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141PHE-152PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.2939)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141SER-144ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-14.0201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141SER-154ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3366)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142GLN-154GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-5.5996)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142ILE-155LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3977)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142ILE-155LEU-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6573)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142ILE-185VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142PHE-170ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8511)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-147LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-9.1821)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-148TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.9790)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-150VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.1708)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-160PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.0369)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-170ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0824)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-199THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3294)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-203VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8420)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143ARG-187ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-116.1773)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143ARG-188LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=62.4138)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143GLN-147GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-23.5304)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143ILE-146VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4262)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143LEU-160ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.6441)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143TRP-146LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-5.1727)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143TYR-150ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.9062)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143VAL-147LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6184)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143VAL-152PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9723)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144ARG-147GLU-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-92.5346)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144ASP-150SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-15.4567)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144ILE-155THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8504)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144LYS-161GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-122.2206)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144PHE-153LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0951)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144PHE-155ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6732)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='145GLN-149MET-2', method='DWCCSDTF12', mode='CP', basis='adz', value=3.5460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='145LEU-149PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9186)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='145THR-149PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6123)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146ARG-207GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-118.8431)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146GLU-158SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=9.1150)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-149PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.7829)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-150LEU-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7016)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-150VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4507)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-164TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2245)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-165PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1672)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-199LYS-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7836)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146VAL-161VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5817)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146VAL-161VAL-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4411)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146VAL-165HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4877)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147ASP-171TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-25.6082)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147ASP-188LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-111.1536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147LYS-203VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5729)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147PHE-159PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.7893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147PHE-182PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.9561)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147VAL-175SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7944)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148ALA-158LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148HIE-152GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.8555)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148ILE-202VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148ILE-204ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.4257)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148PHE-164HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.7663)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148PHE-165TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.4393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148SER-163ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7772)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148TYR-170ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2437)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-167THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1567)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-171TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-5.0269)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-175SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.8248)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-177ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-6.5058)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149LEU-152GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-159ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.8493)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-164PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1781)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-165PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7845)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-169VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5522)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PRO-152GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.1507)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PRO-152PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8755)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149THR-157PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8802)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149TYR-153PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.7774)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150ARG-157ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-113.2639)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150ARG-208ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.2456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-153PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8251)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-154TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5009)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-159PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1978)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-167LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-170HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0294)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-202LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7839)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-203GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.4846)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LYS-158LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='151ILE-159VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.0510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='151SER-159PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0974)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='151THR-163THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=5.4671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152ASP-156LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-5.2798)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152ASP-158LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2263)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152CYS-197VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.5881)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152LYS-156ASP-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-115.3050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152LYS-277TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.6150)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153ASP-156ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-67.3496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153ASP-200ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-106.3039)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153LYS-203GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-115.4599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153PHE-163LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153TRP-158MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.7556)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ARG-204ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=61.6212)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ARG-208TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-10.9644)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ILE-159GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5379)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ILE-160VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5098)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154LEU-191TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154LYS-159ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154TYR-203GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=4.6171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154TYR-207ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.2614)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PHE-197TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6747)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PHE-277TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.1161)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PHE-284LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8495)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PRO-170TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2683)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-171ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-94.9409)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-172THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-14.5045)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-197GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-114.3080)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-200TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.6514)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-200TRP-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-12.4805)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156SER-191TYR-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7041)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157ASP-202VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.2946)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157ASP-204ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-118.3816)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157ILE-160CYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3013)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157MET-181ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.2437)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157MET-192ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9896)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157PRO-161VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9274)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157VAL-167PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1978)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158ALA-193HIE-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9045)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158ALA-284LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158ILE-164LYS-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7863)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158LEU-172THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.1685)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158VAL-169VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.0935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158VAL-205TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1623)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ALA-197TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5234)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159GLU-170LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.5271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-172TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5821)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-199LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-200TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4715)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-203PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PHE-206ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PRO-164VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4963)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PRO-178TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.6393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PRO-192ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9782)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159VAL-180LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160LEU-164TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5289)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160MET-169LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0577)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160PHE-169VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6451)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160PHE-203VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0235)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161ARG-285ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-86.6344)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161ARG-288ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.1250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161ARG-292GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-119.7992)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161THR-194VAL-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.1318)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161TYR-201ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.2522)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161TYR-204ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1507)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161VAL-170LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162ALA-174ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162ALA-175TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.2363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-198PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0548)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-201LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-203VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7028)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-208ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.0948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-284LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3278)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162PHE-168LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.9535)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162PHE-207ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2994)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162VAL-167CYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8594)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162VAL-167TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4223)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162VAL-167TYR-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0843)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ARG-201LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.2393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ASN-166ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7509)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ASN-196ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-5.7672)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ILE-166CYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6095)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163LEU-171ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5323)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163LEU-175LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.0785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-174ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.1011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-178TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.7051)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-180LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9452)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-180LEU-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2167)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-183LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-6.3984)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-184VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-187GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=3.8102)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='164VAL-171ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8508)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='164VAL-225LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5512)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165ALA-292GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.2910)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165GLN-224MET-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.8637)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165LYS-169ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-112.3270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165PHE-169VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4598)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-168ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=3.0510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-171VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-208ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-208ILE-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5026)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165VAL-177ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5281)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='166ILE-187ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='166PRO-171VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='166PRO-172VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3362)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='167GLU-187ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-117.1195)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='167PHE-170TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.7769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='167PRO-170VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168HIE-180GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-24.5909)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168ILE-178VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4235)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168LEU-172ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.4692)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168LEU-211ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.9375)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168TYR-203ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1869)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168TYR-224MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4694)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169ASP-172SER-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-18.7898)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169LEU-181TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169LYS-172ILE-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.8114)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169LYS-291ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169MET-184VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.0785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170ALA-175TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1726)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170HIE-174LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2130)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170LEU-178LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9686)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170LEU-186TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3209)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170THR-180GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171ASP-176THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-17.5358)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171THR-180SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-5.1919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171TYR-180PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=2.0549)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171TYR-231VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='172ASP-204TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-25.9022)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='172ILE-235VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5530)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='172TYR-193VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8384)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173ARG-234ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-116.5499)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173ARG-296LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=58.5889)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173CYS-269HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173CYS-270TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173LEU-190VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5305)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173PHE-176THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9147)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173TYR-211PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1505)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173TYR-213ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0179)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173TYR-245ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2614)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174ASN-178LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-24.7167)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174MET-177ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1352)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174THR-205LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-203VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-205PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6088)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-270TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.2093)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-273GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6901)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-273GLU-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8411)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='175LEU-233ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='175VAL-268LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9275)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='175VAL-274ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-6.9536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ALA-195LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6146)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ARG-182GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-114.6558)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ARG-273GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-76.4072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ILE-198PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ILE-201ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4568)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ILE-205LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-204TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7122)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-208ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6317)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-208ALA-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4957)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-214PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5253)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176THR-180LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7219)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='177ASP-216GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=70.1281)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='177GLN-190VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0715)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='178SER-239ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-18.9215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179ALA-225TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8054)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179ALA-238MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7189)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179ALA-250ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7471)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179LEU-239PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7196)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179TYR-216GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=4.1477)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179TYR-250PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.9361)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179TYR-258TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.3779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180ASN-219SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.8219)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180ASN-229TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.6282)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180GLU-187ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-101.3334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180GLU-189ARG-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-105.3734)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180GLU-194ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-115.3466)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-184VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3265)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-209TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-11.3972)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-214PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5950)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-224ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7945)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181ILE-228TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1427)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181THR-195SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-5.1258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181TRP-185GLN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.1135)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181TRP-189SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8816)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181TRP-258TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.8760)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ASP-186ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-11.2832)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ILE-192ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7024)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ILE-239PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0034)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ILE-242LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4875)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182PRO-186LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3634)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182PRO-186LEU-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182PRO-189ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.9631)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-190LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3969)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-194ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8409)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-205LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.0728)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-209TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=1.9961)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183TYR-186LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-14.9329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184ASP-187ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-87.8287)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-205THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7464)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-209LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3404)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-225TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.3928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-228VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2158)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-238MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7787)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-255TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6789)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184THR-220ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4113)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184VAL-225GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185PHE-190LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0196)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185TYR-220PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5405)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185VAL-224ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.0847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185VAL-228TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186CYS-192PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186GLU-189LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-108.8899)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186LYS-191VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6242)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186LYS-191VAL-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3952)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186TYR-273GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=4.7035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186VAL-208PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1191)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186VAL-223LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4990)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='187LYS-193THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4975)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='187LYS-193THR-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6450)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='188LYS-225GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-5.2767)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189THR-199LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.2164)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189THR-205PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189THR-207GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-16.6160)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189TYR-232ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4926)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='190ARG-235LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0718)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='190LYS-193GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-108.8635)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='190PHE-199LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2622)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='191LEU-219TRP-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.3582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='191TRP-229TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2947)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='192GLN-197VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='192ILE-242LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='192SER-269ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-9.7219)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='193HIE-248MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8516)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='193HIE-301MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.8621)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194ASP-269ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-119.4849)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194ILE-205LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-198PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.9419)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-201LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7947)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-217PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6709)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-233ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-237ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5068)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-241TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.7034)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195ASP-241TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=5.8126)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195LEU-205PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8589)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195LEU-237ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3230)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195LEU-269ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.4963)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195PRO-198PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.7042)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-218GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=10.3692)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-221MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7945)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-249ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6653)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-249ILE-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4345)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='197TYR-201LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7367)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='197TYR-252PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.8925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='197TYR-284LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7433)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198ASN-201LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7158)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-205PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-217PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0023)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-284LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0018)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-287LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5317)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='199LYS-207GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-108.8442)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='200TRP-204ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.2879)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='201LEU-284LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5738)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='201SER-209ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.2572)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='202TYR-212ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='202TYR-241TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.2443)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='203VAL-291ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6501)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205LEU-212ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7867)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205MET-223ASP-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-5.6790)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205MET-224MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6344)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205THR-209LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6673)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='206ASP-210TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-27.7910)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='206VAL-231TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3131)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='207PRO-216VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='208ALA-214PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1659)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='209TYR-214PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7358)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='210GLU-213LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-109.7707)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='210TYR-216ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7262)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='210TYR-286TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.1568)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='211ASP-214LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-114.7420)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='211PRO-245ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.7152)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='212ALA-221GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.4272)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='212ILE-243LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7696)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='212PRO-215ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9473)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='214ILE-217PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5415)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='215ALA-282PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6873)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='217PHE-234TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.1087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='217PHE-247ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9799)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='217PHE-249TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.6504)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='218ALA-249TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.5208)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='218ALA-258TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5143)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219SER-229TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.4882)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-222TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-222TYR-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6458)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-272ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8243)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-286TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1564)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-288LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.0924)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='220ALA-256THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6797)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='220ALA-286TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.1334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-226LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-4.2752)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-230LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-111.5911)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-231TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=7.0338)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-262SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-18.4105)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-263SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-18.8363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-265GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=80.7402)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='222ALA-249ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5565)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223ASP-286TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=4.4961)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223ASP-288LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.6125)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223ASP-289SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-19.9401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223LEU-227ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=1.1415)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='224MET-229PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.4070)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='224MET-229PHE-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3913)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='225ASN-228ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.6561)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='225TRP-228VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='225TRP-252GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.4181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-233LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.2450)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-247VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0242)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-294TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.3633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-294TYR-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4720)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LYS-262SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-17.7571)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='227HIE-255SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.3271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='227HIE-256LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.1861)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='227HIE-289SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.9627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='228ARG-232GLU-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-92.1019)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='228VAL-254THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.2363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='232PRO-290LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5845)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234ASN-237ASN-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-260LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8140)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-262VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3953)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-286TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.9994)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-286TRP-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.4142)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='235VAL-294ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236ILE-258LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.3699)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236ILE-260ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8336)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236PHE-262VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.8889)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236PHE-279ILE-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7957)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236PHE-282GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0407)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237ILE-267ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4431)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237ILE-269ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.4299)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237TRP-246PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.9815)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237TRP-249ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5434)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237TRP-263ASP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.0339)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='238MET-247PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9477)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='238MET-255TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.1820)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='239ASP-244THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-3.7459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='239ASP-271PRO-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-12.4169)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='240ASP-270SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-18.1061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='240PRO-268LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='241ARG-272GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-92.4055)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='243LEU-269HIE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.3808)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='244SER-294TYR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4511)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='245ILE-250ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6794)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='245PRO-248GLU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.2195)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='248MET-298ARG-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8549)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-269MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.5939)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-276ILE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.2988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-297PHE-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.5037)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-300LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='250ILE-255TRP-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.8457)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='250ILE-255TRP-2', method='DWCCSDTF12', mode='CP', basis='adz', value=-2.1675)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='251LEU-269MET-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.2664)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='252PRO-258ALA-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.4366)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='253ALA-261THR-1', method='DWCCSDTF12', mode='CP', basis='adz', value=0.9201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='253ALA-302SER-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.9458)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='255TRP-261VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.7688)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='258LEU-261VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6243)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='261VAL-266VAL-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.1761)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='264ILE-271LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.6398)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='270SER-283LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8351)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='273PRO-283LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='274ILE-279LYS-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-0.8343)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='275ASN-278LEU-1', method='DWCCSDTF12', mode='CP', basis='adz', value=-1.0756)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-005ASP-1', method='MP2C', mode='SA', basis='adz', value=-61.3266)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-013ARG-1', method='MP2C', mode='SA', basis='adz', value=63.9941)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-015GLU-1', method='MP2C', mode='SA', basis='adz', value=-79.9246)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-159VAL-1', method='MP2C', mode='SA', basis='adz', value=-1.3926)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ASN-026VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.4593)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ASN-030MET-1', method='MP2C', mode='SA', basis='adz', value=1.6361)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ASN-097GLU-1', method='MP2C', mode='SA', basis='adz', value=-16.0196)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001HIE-099GLN-1', method='MP2C', mode='SA', basis='adz', value=-1.4331)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LEU-071LYS-1', method='MP2C', mode='SA', basis='adz', value=-0.5762)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LEU-154LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.4000)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LEU-190THR-1', method='MP2C', mode='SA', basis='adz', value=-0.3690)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LYS-027ASN-2', method='MP2C', mode='SA', basis='adz', value=26.6282)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LYS-027THR-1', method='MP2C', mode='SA', basis='adz', value=-0.4759)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LYS-027THR-2', method='MP2C', mode='SA', basis='adz', value=1.9224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-005GLU-1', method='MP2C', mode='SA', basis='adz', value=0.0828)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-027VAL-2', method='MP2C', mode='SA', basis='adz', value=3.6472)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-031VAL-1', method='MP2C', mode='SA', basis='adz', value=3.1280)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-047GLU-1', method='MP2C', mode='SA', basis='adz', value=-4.4550)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001PRO-046ASP-1', method='MP2C', mode='SA', basis='adz', value=-3.8277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001SER-030GLU-1', method='MP2C', mode='SA', basis='adz', value=-2.9781)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ALA-101ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.6692)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ARG-006GLU-1', method='MP2C', mode='SA', basis='adz', value=-89.4936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ARG-020PRO-1', method='MP2C', mode='SA', basis='adz', value=-1.7824)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ARG-046LEU-1', method='MP2C', mode='SA', basis='adz', value=-2.0072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ASN-022GLU-1', method='MP2C', mode='SA', basis='adz', value=-20.5706)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ASN-026ASP-2', method='MP2C', mode='SA', basis='adz', value=-7.6930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ASP-145HIE-1', method='MP2C', mode='SA', basis='adz', value=-6.4050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-005GLN-1', method='MP2C', mode='SA', basis='adz', value=-1.4540)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-006GLN-1', method='MP2C', mode='SA', basis='adz', value=-0.7192)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-153PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.3975)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-163LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.3769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-006GLU-2', method='MP2C', mode='SA', basis='adz', value=-0.7579)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-007ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.6217)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-035GLU-1', method='MP2C', mode='SA', basis='adz', value=-109.1148)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-075ASN-1', method='MP2C', mode='SA', basis='adz', value=-22.1494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-080ARG-1', method='MP2C', mode='SA', basis='adz', value=-0.7075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-082TYR-1', method='MP2C', mode='SA', basis='adz', value=-8.2122)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002MET-031TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.6829)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002MET-050ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.7883)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002TRP-012VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.4904)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002TRP-138SER-2', method='MP2C', mode='SA', basis='adz', value=-5.2563)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002TRP-139LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.4328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-009TRP-1', method='MP2C', mode='SA', basis='adz', value=-0.3923)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-042PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.8162)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-042PHE-2', method='MP2C', mode='SA', basis='adz', value=-0.3638)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-043HIE-2', method='MP2C', mode='SA', basis='adz', value=-1.9768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-046SER-1', method='MP2C', mode='SA', basis='adz', value=-0.0312)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ALA-007THR-1', method='MP2C', mode='SA', basis='adz', value=-0.6094)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003GLU-006GLN-2', method='MP2C', mode='SA', basis='adz', value=4.9034)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ILE-062ILE-1', method='MP2C', mode='SA', basis='adz', value=0.1661)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ILE-065SER-1', method='MP2C', mode='SA', basis='adz', value=0.7369)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ILE-067TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.2738)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003LEU-033LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.4291)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003LEU-054LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.4812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003LYS-055LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.2346)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003PRO-025ALA-1', method='MP2C', mode='SA', basis='adz', value=-1.0489)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003SER-096ASN-2', method='MP2C', mode='SA', basis='adz', value=0.6992)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003THR-181VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.9082)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003THR-182GLU-1', method='MP2C', mode='SA', basis='adz', value=-3.1349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TRP-163PRO-1', method='MP2C', mode='SA', basis='adz', value=-3.7003)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TRP-167GLN-1', method='MP2C', mode='SA', basis='adz', value=-1.2334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TRP-167GLN-2', method='MP2C', mode='SA', basis='adz', value=-2.0071)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-028VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.9503)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-028VAL-2', method='MP2C', mode='SA', basis='adz', value=-1.3677)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-030GLN-1', method='MP2C', mode='SA', basis='adz', value=-2.3391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-054VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.9165)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-056ALA-1', method='MP2C', mode='SA', basis='adz', value=-1.3540)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-073CYS-2', method='MP2C', mode='SA', basis='adz', value=-2.6591)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-074SER-1', method='MP2C', mode='SA', basis='adz', value=-1.3840)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-096HIE-1', method='MP2C', mode='SA', basis='adz', value=-3.3940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-009TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.0539)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-012GLU-1', method='MP2C', mode='SA', basis='adz', value=-2.4075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-036PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.0486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-064TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.8162)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-081THR-1', method='MP2C', mode='SA', basis='adz', value=-0.3595)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-083PRO-1', method='MP2C', mode='SA', basis='adz', value=-0.4716)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-118ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.5116)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-121TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.9514)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-024THR-1', method='MP2C', mode='SA', basis='adz', value=-14.9085)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-057ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.7950)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-057ILE-2', method='MP2C', mode='SA', basis='adz', value=0.5967)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-095TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.3815)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-095TYR-2', method='MP2C', mode='SA', basis='adz', value=-5.7159)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ASN-009TRP-1', method='MP2C', mode='SA', basis='adz', value=-4.1779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ASP-043THR-1', method='MP2C', mode='SA', basis='adz', value=-15.4424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ASP-194ARG-1', method='MP2C', mode='SA', basis='adz', value=-101.3336)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004GLN-007ASN-2', method='MP2C', mode='SA', basis='adz', value=-2.8725)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004GLN-056GLU-1', method='MP2C', mode='SA', basis='adz', value=-6.6439)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004GLU-039THR-1', method='MP2C', mode='SA', basis='adz', value=-15.3788)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-010TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.6524)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-031TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.0820)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-032HIE-1', method='MP2C', mode='SA', basis='adz', value=-0.9275)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-040GLU-1', method='MP2C', mode='SA', basis='adz', value=-2.5279)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-179LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.4696)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-180LEU-1', method='MP2C', mode='SA', basis='adz', value=0.0732)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-180LEU-2', method='MP2C', mode='SA', basis='adz', value=-0.7525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-183LYS-1', method='MP2C', mode='SA', basis='adz', value=-0.3783)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LYS-030ASP-1', method='MP2C', mode='SA', basis='adz', value=-3.8278)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LYS-031ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.7333)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LYS-323PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.0695)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-116VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.9030)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-135LEU-2', method='MP2C', mode='SA', basis='adz', value=-1.6503)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-158LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.6081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-160PRO-1', method='MP2C', mode='SA', basis='adz', value=-1.6189)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-007LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.8256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-009TYR-1', method='MP2C', mode='SA', basis='adz', value=-2.8916)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-026TYR-1', method='MP2C', mode='SA', basis='adz', value=-2.1022)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-029PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.9679)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-068VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.3475)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-074ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.9107)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-094LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.9750)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-096TYR-1', method='MP2C', mode='SA', basis='adz', value=-2.0692)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004SER-027VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.4058)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004SER-030MET-1', method='MP2C', mode='SA', basis='adz', value=-1.2969)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-078LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.2958)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-132LYS-1', method='MP2C', mode='SA', basis='adz', value=-12.6854)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-163LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.2102)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-164GLU-1', method='MP2C', mode='SA', basis='adz', value=-14.9631)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TRP-014ARG-2', method='MP2C', mode='SA', basis='adz', value=-1.3514)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TRP-016LYS-1', method='MP2C', mode='SA', basis='adz', value=-2.1847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TYR-075PRO-1', method='MP2C', mode='SA', basis='adz', value=-1.0248)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TYR-105LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.1703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004VAL-053LEU-1', method='MP2C', mode='SA', basis='adz', value=0.4532)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ALA-019PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.3444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ARG-012GLU-1', method='MP2C', mode='SA', basis='adz', value=-105.7453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ARG-071GLU-1', method='MP2C', mode='SA', basis='adz', value=-94.6597)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ARG-158LEU-2', method='MP2C', mode='SA', basis='adz', value=-1.7394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ASP-103GLN-1', method='MP2C', mode='SA', basis='adz', value=-11.9020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ASP-128ARG-1', method='MP2C', mode='SA', basis='adz', value=-99.5879)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ILE-054SER-1', method='MP2C', mode='SA', basis='adz', value=-0.9653)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ILE-234TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.6479)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ILE-277LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.0556)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-010TRP-1', method='MP2C', mode='SA', basis='adz', value=-0.8418)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-011PHE-1', method='MP2C', mode='SA', basis='adz', value=-2.0599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-015LYS-1', method='MP2C', mode='SA', basis='adz', value=-1.7518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-023GLN-1', method='MP2C', mode='SA', basis='adz', value=-0.6841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-025ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.3393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-025LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.4546)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-030ASP-1', method='MP2C', mode='SA', basis='adz', value=-2.0110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-030LEU-2', method='MP2C', mode='SA', basis='adz', value=-0.7424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-032MET-1', method='MP2C', mode='SA', basis='adz', value=-0.5478)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-037ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.4585)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-068ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.5286)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-077LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.3223)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-083HIE-1', method='MP2C', mode='SA', basis='adz', value=-1.0707)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-106TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.5924)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-191TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.9039)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-022VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.4829)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-031TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.1472)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-037PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.3748)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-043TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.9964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-049LYS-1', method='MP2C', mode='SA', basis='adz', value=-0.8526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-050TRP-1', method='MP2C', mode='SA', basis='adz', value=-2.6935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-155SER-1', method='MP2C', mode='SA', basis='adz', value=-0.4395)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-162GLN-1', method='MP2C', mode='SA', basis='adz', value=-1.5705)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-163LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.2396)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PRO-196ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.9778)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005SER-028VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.4185)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005TYR-166TYR-1', method='MP2C', mode='SA', basis='adz', value=-2.8076)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005TYR-168VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.4990)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-008GLN-1', method='MP2C', mode='SA', basis='adz', value=0.2399)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-023LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.2328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-035PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.0864)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-037ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.1323)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-039SER-1', method='MP2C', mode='SA', basis='adz', value=0.2074)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ALA-078GLU-1', method='MP2C', mode='SA', basis='adz', value=-0.4938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ARG-090TYR-1', method='MP2C', mode='SA', basis='adz', value=-2.4611)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ASP-010THR-1', method='MP2C', mode='SA', basis='adz', value=6.4554)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ASP-116VAL-1', method='MP2C', mode='SA', basis='adz', value=-1.3339)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006GLU-010TYR-1', method='MP2C', mode='SA', basis='adz', value=-2.3776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-108PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.5845)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-126VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.4625)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-319TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.3790)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-323PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.7877)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-018ARG-1', method='MP2C', mode='SA', basis='adz', value=-6.2552)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-039THR-2', method='MP2C', mode='SA', basis='adz', value=-1.4860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-050VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.4848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-053LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.8064)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-061PHE-1', method='MP2C', mode='SA', basis='adz', value=-2.5142)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-163LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.5074)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006THR-097VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.4426)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006TRP-026TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.1814)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006TRP-038VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.8335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006TRP-040LYS-1', method='MP2C', mode='SA', basis='adz', value=-0.7748)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-020VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.6186)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-023MET-1', method='MP2C', mode='SA', basis='adz', value=-0.4044)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-024ASP-1', method='MP2C', mode='SA', basis='adz', value=-1.5458)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-026LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.1534)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-038ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.0103)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-053LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.5223)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-055GLU-1', method='MP2C', mode='SA', basis='adz', value=-1.7289)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-175PHE-1', method='MP2C', mode='SA', basis='adz', value=-2.5129)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ALA-011ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.8437)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ALA-021PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.8135)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ALA-049VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.1261)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ARG-011GLU-2', method='MP2C', mode='SA', basis='adz', value=-101.3864)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ARG-062TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.8858)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ARG-063PRO-1', method='MP2C', mode='SA', basis='adz', value=-2.3195)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASN-109GLU-1', method='MP2C', mode='SA', basis='adz', value=-18.2965)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASP-011GLN-1', method='MP2C', mode='SA', basis='adz', value=7.4082)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASP-119SER-1', method='MP2C', mode='SA', basis='adz', value=-5.3719)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASP-131ARG-1', method='MP2C', mode='SA', basis='adz', value=-109.0093)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007GLU-033LYS-1', method='MP2C', mode='SA', basis='adz', value=-4.2542)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007GLU-033LYS-2', method='MP2C', mode='SA', basis='adz', value=-99.2787)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-015LYS-1', method='MP2C', mode='SA', basis='adz', value=-0.7118)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-030LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.1753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-030LEU-2', method='MP2C', mode='SA', basis='adz', value=-0.2849)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-038TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.5327)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-042LYS-1', method='MP2C', mode='SA', basis='adz', value=0.0878)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-097VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.4788)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-017ARG-1', method='MP2C', mode='SA', basis='adz', value=-0.5383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-026VAL-1', method='MP2C', mode='SA', basis='adz', value=0.5342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-033LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.4102)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-090TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.1595)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-096TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.9520)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-168HIE-1', method='MP2C', mode='SA', basis='adz', value=-1.4302)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LYS-011ASP-1', method='MP2C', mode='SA', basis='adz', value=-111.7967)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LYS-093SER-1', method='MP2C', mode='SA', basis='adz', value=-0.6443)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LYS-099THR-1', method='MP2C', mode='SA', basis='adz', value=-0.3884)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-019VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.5401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-021PHE-1', method='MP2C', mode='SA', basis='adz', value=-2.5008)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-021PRO-1', method='MP2C', mode='SA', basis='adz', value=-1.2656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-022VAL-1', method='MP2C', mode='SA', basis='adz', value=-1.1938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-024VAL-1', method='MP2C', mode='SA', basis='adz', value=0.2420)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-035PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.0982)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-084LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.6276)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-091ILE-1', method='MP2C', mode='SA', basis='adz', value=-1.4097)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-111PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.8708)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-157ILE-1', method='MP2C', mode='SA', basis='adz', value=-1.3749)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-160CYS-1', method='MP2C', mode='SA', basis='adz', value=-0.6626)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007SER-010ARG-2', method='MP2C', mode='SA', basis='adz', value=-7.6018)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007SER-100ASN-1', method='MP2C', mode='SA', basis='adz', value=-3.7927)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007THR-031LYS-1', method='MP2C', mode='SA', basis='adz', value=-0.0321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007TYR-053TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.8232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-022SER-1', method='MP2C', mode='SA', basis='adz', value=-1.6533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-026GLU-1', method='MP2C', mode='SA', basis='adz', value=-0.2916)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-034ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.3562)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-038VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.5632)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-040THR-1', method='MP2C', mode='SA', basis='adz', value=-0.2371)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-154GLN-1', method='MP2C', mode='SA', basis='adz', value=-0.4370)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-154GLN-2', method='MP2C', mode='SA', basis='adz', value=-0.7944)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-191TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.8730)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-248MET-1', method='MP2C', mode='SA', basis='adz', value=-0.2888)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ALA-034ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.0932)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ALA-035GLU-1', method='MP2C', mode='SA', basis='adz', value=-3.2578)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ALA-038MET-1', method='MP2C', mode='SA', basis='adz', value=-0.3862)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ARG-115SER-1', method='MP2C', mode='SA', basis='adz', value=-14.3364)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASN-030LYS-1', method='MP2C', mode='SA', basis='adz', value=-23.5464)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASP-018ARG-1', method='MP2C', mode='SA', basis='adz', value=-4.4125)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASP-018ARG-2', method='MP2C', mode='SA', basis='adz', value=-109.8039)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASP-058ILE-1', method='MP2C', mode='SA', basis='adz', value=-1.2581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-012HIE-1', method='MP2C', mode='SA', basis='adz', value=-0.5518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-015TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.8846)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-032MET-1', method='MP2C', mode='SA', basis='adz', value=-0.4339)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-033PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.9857)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-034LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.0693)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-035TRP-1', method='MP2C', mode='SA', basis='adz', value=-1.0247)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-041TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.9514)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-058PHE-1', method='MP2C', mode='SA', basis='adz', value=-2.0547)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-062TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.1122)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LEU-017ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.3717)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LEU-088TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.9994)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-043THR-1', method='MP2C', mode='SA', basis='adz', value=-13.9733)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-065VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.4081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-068GLU-1', method='MP2C', mode='SA', basis='adz', value=-3.6565)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-068GLU-2', method='MP2C', mode='SA', basis='adz', value=-104.8677)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008MET-158LEU-1', method='MP2C', mode='SA', basis='adz', value=0.0270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-042LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.7439)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-044ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.9332)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-097VAL-1', method='MP2C', mode='SA', basis='adz', value=-1.6520)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-099HIE-1', method='MP2C', mode='SA', basis='adz', value=-2.0491)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-101HIE-1', method='MP2C', mode='SA', basis='adz', value=-2.3791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PRO-183ASP-1', method='MP2C', mode='SA', basis='adz', value=-12.7150)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008SER-032SER-1', method='MP2C', mode='SA', basis='adz', value=-4.6179)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008SER-093TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.2944)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TRP-035PHE-1', method='MP2C', mode='SA', basis='adz', value=-3.0856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TRP-250PHE-1', method='MP2C', mode='SA', basis='adz', value=-2.7715)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TRP-252GLU-1', method='MP2C', mode='SA', basis='adz', value=-19.8084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TYR-052TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.5757)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-039TRP-1', method='MP2C', mode='SA', basis='adz', value=-0.7593)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-041VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.2223)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-066LEU-1', method='MP2C', mode='SA', basis='adz', value=0.0934)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-072SER-1', method='MP2C', mode='SA', basis='adz', value=-0.0010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-080PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.8128)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ALA-084LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.3128)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ALA-091ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.0119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-023GLU-1', method='MP2C', mode='SA', basis='adz', value=-94.8310)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-031TRP-1', method='MP2C', mode='SA', basis='adz', value=-10.8644)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-092LEU-1', method='MP2C', mode='SA', basis='adz', value=-2.0623)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-103GLN-1', method='MP2C', mode='SA', basis='adz', value=5.5376)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-106ASP-1', method='MP2C', mode='SA', basis='adz', value=-88.2515)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-128ARG-1', method='MP2C', mode='SA', basis='adz', value=-2.2654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-128ARG-2', method='MP2C', mode='SA', basis='adz', value=60.0763)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ASN-024ARG-1', method='MP2C', mode='SA', basis='adz', value=10.1348)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ASP-021LYS-1', method='MP2C', mode='SA', basis='adz', value=-3.3679)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009GLN-068ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.7996)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009GLN-072ASN-1', method='MP2C', mode='SA', basis='adz', value=-1.7824)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-013TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.7188)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-038LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.1851)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-052PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.5413)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-092LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.7092)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-092LEU-2', method='MP2C', mode='SA', basis='adz', value=-0.4324)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-105LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.4915)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-108PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.7118)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-155ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.3077)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-013VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.5375)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-033LEU-2', method='MP2C', mode='SA', basis='adz', value=-0.3513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-039ARG-1', method='MP2C', mode='SA', basis='adz', value=-0.4355)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-041VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.5656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-041VAL-2', method='MP2C', mode='SA', basis='adz', value=-0.2521)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-055SER-2', method='MP2C', mode='SA', basis='adz', value=-0.6386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-058ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.5361)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LYS-137LEU-1', method='MP2C', mode='SA', basis='adz', value=-2.3044)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LYS-171VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.6852)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009PRO-069TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.8145)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TRP-111ARG-1', method='MP2C', mode='SA', basis='adz', value=-10.3518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-016GLU-1', method='MP2C', mode='SA', basis='adz', value=5.0296)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-029THR-1', method='MP2C', mode='SA', basis='adz', value=-0.8732)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-033ASN-1', method='MP2C', mode='SA', basis='adz', value=-4.1109)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-035SER-1', method='MP2C', mode='SA', basis='adz', value=-0.8964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-050PRO-1', method='MP2C', mode='SA', basis='adz', value=-3.0567)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-053TYR-1', method='MP2C', mode='SA', basis='adz', value=-2.3159)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-111ASP-1', method='MP2C', mode='SA', basis='adz', value=-21.8987)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-121TYR-1', method='MP2C', mode='SA', basis='adz', value=-3.4320)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-158ALA-1', method='MP2C', mode='SA', basis='adz', value=0.4134)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-301MET-1', method='MP2C', mode='SA', basis='adz', value=-1.1023)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-303TRP-1', method='MP2C', mode='SA', basis='adz', value=-2.1339)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-021PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.6770)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-025ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.2665)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-035ARG-1', method='MP2C', mode='SA', basis='adz', value=-0.4780)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-084ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.2096)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-086TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.1394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ARG-039ASP-1', method='MP2C', mode='SA', basis='adz', value=-99.5262)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ARG-042ASP-1', method='MP2C', mode='SA', basis='adz', value=-89.5692)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ARG-092LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.8035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASN-014GLN-2', method='MP2C', mode='SA', basis='adz', value=-5.1520)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASN-023GLU-1', method='MP2C', mode='SA', basis='adz', value=-22.0410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASN-088TYR-1', method='MP2C', mode='SA', basis='adz', value=-3.2000)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASP-090TYR-1', method='MP2C', mode='SA', basis='adz', value=-23.6884)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLN-022MET-1', method='MP2C', mode='SA', basis='adz', value=-1.6670)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLN-102TYR-1', method='MP2C', mode='SA', basis='adz', value=1.0464)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLU-014LYS-1', method='MP2C', mode='SA', basis='adz', value=-67.3175)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLU-032SER-1', method='MP2C', mode='SA', basis='adz', value=11.4921)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010HIE-015TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.4425)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010HIE-023ASP-1', method='MP2C', mode='SA', basis='adz', value=-0.8229)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010LEU-091ASN-1', method='MP2C', mode='SA', basis='adz', value=-0.5693)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010LEU-096TRP-1', method='MP2C', mode='SA', basis='adz', value=-0.7390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010LEU-132ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.7525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010PHE-028ILE-2', method='MP2C', mode='SA', basis='adz', value=-1.3465)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-022LEU-1', method='MP2C', mode='SA', basis='adz', value=-2.0660)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-025VAL-1', method='MP2C', mode='SA', basis='adz', value=-1.0789)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-032ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.2567)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-032PHE-1', method='MP2C', mode='SA', basis='adz', value=-2.5713)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-034VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.8355)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-052TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.0600)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-058PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.6474)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-081VAL-1', method='MP2C', mode='SA', basis='adz', value=-2.2061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-081VAL-2', method='MP2C', mode='SA', basis='adz', value=-2.2460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-017GLU-1', method='MP2C', mode='SA', basis='adz', value=4.1113)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-049PRO-1', method='MP2C', mode='SA', basis='adz', value=-2.0601)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-052TYR-1', method='MP2C', mode='SA', basis='adz', value=-2.6803)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-163TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.1459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-027ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.4899)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-028LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.4474)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-034TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.7241)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-040PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.5395)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-044ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.1564)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ALA-016GLU-1', method='MP2C', mode='SA', basis='adz', value=-0.6894)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ASP-091ASN-1', method='MP2C', mode='SA', basis='adz', value=-17.2116)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011CYS-042VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.4497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011CYS-042VAL-2', method='MP2C', mode='SA', basis='adz', value=-0.6382)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011GLU-062TYR-1', method='MP2C', mode='SA', basis='adz', value=3.6319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011GLU-100THR-1', method='MP2C', mode='SA', basis='adz', value=-8.2744)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011HIE-015ASN-1', method='MP2C', mode='SA', basis='adz', value=2.5504)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011HIE-304SER-1', method='MP2C', mode='SA', basis='adz', value=2.7248)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011HIE-306ASN-1', method='MP2C', mode='SA', basis='adz', value=-2.1933)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-017LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.1690)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-018ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.4504)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-024ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.4511)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-024ILE-2', method='MP2C', mode='SA', basis='adz', value=-0.2496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-028LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.0356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-037LEU-1', method='MP2C', mode='SA', basis='adz', value=0.1231)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-038TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.8410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-042LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.4284)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-045VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.3437)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-062HIE-2', method='MP2C', mode='SA', basis='adz', value=-0.5881)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-069TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.7927)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-071GLU-1', method='MP2C', mode='SA', basis='adz', value=-0.8406)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-102TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.5549)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-102TYR-2', method='MP2C', mode='SA', basis='adz', value=-1.3577)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011PHE-044TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.9091)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011PRO-020ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.0786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011SER-223GLU-1', method='MP2C', mode='SA', basis='adz', value=-17.6442)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011THR-017ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.2597)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011THR-166GLU-1', method='MP2C', mode='SA', basis='adz', value=-3.0181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011THR-166GLU-2', method='MP2C', mode='SA', basis='adz', value=-15.7036)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-018ARG-1', method='MP2C', mode='SA', basis='adz', value=-7.3599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-023ARG-1', method='MP2C', mode='SA', basis='adz', value=-7.3050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-051GLU-1', method='MP2C', mode='SA', basis='adz', value=-10.1893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-102GLN-1', method='MP2C', mode='SA', basis='adz', value=-3.4225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-169ILE-1', method='MP2C', mode='SA', basis='adz', value=-1.0923)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-144PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.9605)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-153LYS-1', method='MP2C', mode='SA', basis='adz', value=-0.2961)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-153LYS-2', method='MP2C', mode='SA', basis='adz', value=-0.5298)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-155ILE-1', method='MP2C', mode='SA', basis='adz', value=0.0557)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-055PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.4050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-059PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.8079)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-108PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.7957)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-139ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.5026)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASN-048PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.0216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASP-024LYS-2', method='MP2C', mode='SA', basis='adz', value=-76.9162)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASP-026TYR-1', method='MP2C', mode='SA', basis='adz', value=-7.0926)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASP-069TYR-1', method='MP2C', mode='SA', basis='adz', value=4.1640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLN-034GLN-1', method='MP2C', mode='SA', basis='adz', value=-6.0520)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLN-044TRP-1', method='MP2C', mode='SA', basis='adz', value=-1.0272)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLN-048TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.4091)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-017GLU-1', method='MP2C', mode='SA', basis='adz', value=-0.7955)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-019THR-1', method='MP2C', mode='SA', basis='adz', value=-16.0580)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-068HIE-1', method='MP2C', mode='SA', basis='adz', value=13.0659)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-070TYR-1', method='MP2C', mode='SA', basis='adz', value=-5.0276)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012HIE-015ILE-1', method='MP2C', mode='SA', basis='adz', value=-1.2352)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012HIE-033LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.5735)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-016THR-1', method='MP2C', mode='SA', basis='adz', value=-0.4950)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-018LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.2969)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-028LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.0410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-044ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.6823)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-046LYS-2', method='MP2C', mode='SA', basis='adz', value=0.2475)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-046VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.2580)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-024VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.3788)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-027PRO-1', method='MP2C', mode='SA', basis='adz', value=-1.0507)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-033LEU-1', method='MP2C', mode='SA', basis='adz', value=0.0374)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-035TRP-1', method='MP2C', mode='SA', basis='adz', value=-1.1392)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-039ARG-1', method='MP2C', mode='SA', basis='adz', value=-0.5094)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-047ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.2655)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-057LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.2739)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-062HIE-1', method='MP2C', mode='SA', basis='adz', value=-1.5597)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-064LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.6180)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-065LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.3439)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-070MET-1', method='MP2C', mode='SA', basis='adz', value=-0.6477)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-074VAL-1', method='MP2C', mode='SA', basis='adz', value=0.0840)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-083ASN-1', method='MP2C', mode='SA', basis='adz', value=-0.9467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-085ASN-1', method='MP2C', mode='SA', basis='adz', value=-0.5945)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-088TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.3460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-026PHE-1', method='MP2C', mode='SA', basis='adz', value=-2.5762)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-040PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.3924)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-116PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.1207)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-163ILE-1', method='MP2C', mode='SA', basis='adz', value=-1.6163)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-166CYS-1', method='MP2C', mode='SA', basis='adz', value=-0.9305)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012SER-138SER-1', method='MP2C', mode='SA', basis='adz', value=-2.4371)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012SER-166PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.3745)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012TYR-087PRO-1', method='MP2C', mode='SA', basis='adz', value=-3.7066)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-016LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.1225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-023LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.1873)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-088PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.9114)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-114PRO-1', method='MP2C', mode='SA', basis='adz', value=-0.8841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-146PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.8188)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ALA-096TRP-1', method='MP2C', mode='SA', basis='adz', value=-2.2067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ASN-149ASN-1', method='MP2C', mode='SA', basis='adz', value=-6.6918)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ASP-016GLU-1', method='MP2C', mode='SA', basis='adz', value=63.3089)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ASP-023ARG-1', method='MP2C', mode='SA', basis='adz', value=-115.9521)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-039ARG-1', method='MP2C', mode='SA', basis='adz', value=-90.3693)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-052ILE-1', method='MP2C', mode='SA', basis='adz', value=-1.4552)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-056GLN-1', method='MP2C', mode='SA', basis='adz', value=-21.0133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-065LEU-1', method='MP2C', mode='SA', basis='adz', value=-3.1007)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-069ARG-1', method='MP2C', mode='SA', basis='adz', value=-113.7706)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013HIE-032ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.3044)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013HIE-095HIE-1', method='MP2C', mode='SA', basis='adz', value=-2.1256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013HIE-121TYR-1', method='MP2C', mode='SA', basis='adz', value=-9.6520)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ILE-017LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.6326)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ILE-105ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.2911)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-017ASN-1', method='MP2C', mode='SA', basis='adz', value=0.1319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-063ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.4566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-065PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.4484)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-066ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.2521)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-069LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.5907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-077LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.0615)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-082VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.4393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-084ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.3662)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-036VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.6587)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-060TYR-1', method='MP2C', mode='SA', basis='adz', value=-2.0821)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-062LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.4201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-063PRO-1', method='MP2C', mode='SA', basis='adz', value=-1.4316)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-083ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.8167)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-085ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.5898)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PRO-032VAL-1', method='MP2C', mode='SA', basis='adz', value=0.2174)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PRO-034GLN-1', method='MP2C', mode='SA', basis='adz', value=-1.3387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PRO-129THR-1', method='MP2C', mode='SA', basis='adz', value=-0.8116)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013SER-047TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.0217)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013THR-164GLU-1', method='MP2C', mode='SA', basis='adz', value=-2.7719)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013TYR-075LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.6646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013TYR-075LEU-2', method='MP2C', mode='SA', basis='adz', value=-1.3744)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-016PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.3782)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-066LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.6349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-154ASN-1', method='MP2C', mode='SA', basis='adz', value=-0.8638)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-154ASN-2', method='MP2C', mode='SA', basis='adz', value=-0.9195)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ALA-055LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.3936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ARG-083THR-1', method='MP2C', mode='SA', basis='adz', value=3.3201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASN-027ARG-1', method='MP2C', mode='SA', basis='adz', value=-0.8466)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASN-061LYS-1', method='MP2C', mode='SA', basis='adz', value=-23.6834)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASN-137TYR-1', method='MP2C', mode='SA', basis='adz', value=-3.8584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASP-017ARG-1', method='MP2C', mode='SA', basis='adz', value=-80.3644)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLN-093VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.0928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLU-036LYS-1', method='MP2C', mode='SA', basis='adz', value=-119.7919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLU-069ILE-1', method='MP2C', mode='SA', basis='adz', value=-2.4277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLU-164TYR-1', method='MP2C', mode='SA', basis='adz', value=-25.0735)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014HIE-043TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.1388)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-025TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.6088)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-027ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.1811)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-081PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.9226)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-085ASN-1', method='MP2C', mode='SA', basis='adz', value=-1.1322)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-088MET-1', method='MP2C', mode='SA', basis='adz', value=-0.6582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-061GLN-1', method='MP2C', mode='SA', basis='adz', value=-0.2408)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-070TRP-1', method='MP2C', mode='SA', basis='adz', value=-1.5400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-163ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.4684)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-174PRO-1', method='MP2C', mode='SA', basis='adz', value=-0.7655)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LYS-023GLU-1', method='MP2C', mode='SA', basis='adz', value=-122.5302)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014SER-017GLU-1', method='MP2C', mode='SA', basis='adz', value=-14.6332)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014SER-084GLN-1', method='MP2C', mode='SA', basis='adz', value=-3.0420)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-019GLU-1', method='MP2C', mode='SA', basis='adz', value=-3.0481)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-021PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.4449)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-022LYS-1', method='MP2C', mode='SA', basis='adz', value=-1.2127)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-022LYS-2', method='MP2C', mode='SA', basis='adz', value=-1.6254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-082PHE-1', method='MP2C', mode='SA', basis='adz', value=-2.5343)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014VAL-091ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.3211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ARG-020ASP-1', method='MP2C', mode='SA', basis='adz', value=-98.5758)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ARG-164ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.2949)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-019THR-1', method='MP2C', mode='SA', basis='adz', value=-4.4225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-048GLN-1', method='MP2C', mode='SA', basis='adz', value=-6.3222)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-069ARG-1', method='MP2C', mode='SA', basis='adz', value=-2.6021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-149PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.3880)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015CYS-057LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.9678)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015GLU-019LYS-1', method='MP2C', mode='SA', basis='adz', value=-104.7414)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-019PRO-1', method='MP2C', mode='SA', basis='adz', value=-0.3277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-023LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.2465)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-030LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.7138)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-034LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.3016)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-035ARG-1', method='MP2C', mode='SA', basis='adz', value=-0.4469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-136HIE-1', method='MP2C', mode='SA', basis='adz', value=-0.0273)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-035TRP-1', method='MP2C', mode='SA', basis='adz', value=-0.7637)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-038LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.3747)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-080PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.4917)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-084TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.9679)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-102SER-1', method='MP2C', mode='SA', basis='adz', value=0.8310)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-047TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.1906)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-047TYR-2', method='MP2C', mode='SA', basis='adz', value=-12.6792)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-220ASP-1', method='MP2C', mode='SA', basis='adz', value=-106.2351)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-223GLU-1', method='MP2C', mode='SA', basis='adz', value=-4.0702)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015MET-023LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.7522)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015MET-023LEU-2', method='MP2C', mode='SA', basis='adz', value=-0.7446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015PHE-039ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.6975)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015PHE-044LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.3240)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015SER-018THR-1', method='MP2C', mode='SA', basis='adz', value=0.1980)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015SER-037LYS-1', method='MP2C', mode='SA', basis='adz', value=-0.2959)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-019ASP-1', method='MP2C', mode='SA', basis='adz', value=-0.4198)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-021MET-1', method='MP2C', mode='SA', basis='adz', value=-0.6647)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-060HIE-1', method='MP2C', mode='SA', basis='adz', value=-8.1006)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-061GLN-1', method='MP2C', mode='SA', basis='adz', value=-4.9052)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015TRP-025THR-1', method='MP2C', mode='SA', basis='adz', value=-0.9883)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015TRP-096TYR-1', method='MP2C', mode='SA', basis='adz', value=-3.4880)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015TYR-034ILE-1', method='MP2C', mode='SA', basis='adz', value=-1.5774)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015VAL-060TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.6088)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ARG-047PHE-1', method='MP2C', mode='SA', basis='adz', value=-2.1514)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLN-048ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.3176)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLN-098LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.1175)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLN-101GLN-1', method='MP2C', mode='SA', basis='adz', value=-1.9171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLU-035TRP-1', method='MP2C', mode='SA', basis='adz', value=-2.3488)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ILE-021VAL-1', method='MP2C', mode='SA', basis='adz', value=-1.0020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ILE-145LYS-1', method='MP2C', mode='SA', basis='adz', value=-0.2931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ILE-219PRO-1', method='MP2C', mode='SA', basis='adz', value=-0.6242)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-036LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.0574)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-046ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.1107)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-062LEU-1', method='MP2C', mode='SA', basis='adz', value=0.0857)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-065LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.2413)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-072PRO-1', method='MP2C', mode='SA', basis='adz', value=0.0990)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-082SER-2', method='MP2C', mode='SA', basis='adz', value=0.8106)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-137ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.4653)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-141MET-1', method='MP2C', mode='SA', basis='adz', value=-0.6746)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LYS-085GLU-1', method='MP2C', mode='SA', basis='adz', value=-105.1299)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-034VAL-1', method='MP2C', mode='SA', basis='adz', value=-1.5594)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-036VAL-1', method='MP2C', mode='SA', basis='adz', value=-1.4590)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-132ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.7606)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-176PHE-1', method='MP2C', mode='SA', basis='adz', value=-2.2526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-192LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.8300)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016SER-031ASN-2', method='MP2C', mode='SA', basis='adz', value=-4.4748)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016THR-022MET-1', method='MP2C', mode='SA', basis='adz', value=-0.9982)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016TYR-079ILE-1', method='MP2C', mode='SA', basis='adz', value=-1.3321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-033THR-1', method='MP2C', mode='SA', basis='adz', value=-0.1377)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-055PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.6833)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-059PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.2541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-084ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.2583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ARG-056HIE-1', method='MP2C', mode='SA', basis='adz', value=-8.3792)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASN-021LYS-1', method='MP2C', mode='SA', basis='adz', value=-17.6473)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASN-029ASN-2', method='MP2C', mode='SA', basis='adz', value=-6.0027)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASP-049ARG-1', method='MP2C', mode='SA', basis='adz', value=-76.6506)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASP-060HIE-1', method='MP2C', mode='SA', basis='adz', value=-7.5258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLN-024ASN-1', method='MP2C', mode='SA', basis='adz', value=-7.4053)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLN-093VAL-1', method='MP2C', mode='SA', basis='adz', value=0.8142)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLN-094ASP-1', method='MP2C', mode='SA', basis='adz', value=-24.0390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLU-036TRP-1', method='MP2C', mode='SA', basis='adz', value=-3.0597)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLU-072PRO-1', method='MP2C', mode='SA', basis='adz', value=-4.5384)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017HIE-033ASP-1', method='MP2C', mode='SA', basis='adz', value=-19.7438)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017HIE-035TRP-1', method='MP2C', mode='SA', basis='adz', value=-5.6887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-021LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.8143)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-028LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.5743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-028LEU-2', method='MP2C', mode='SA', basis='adz', value=-0.1936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-030PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.6650)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-055HIE-1', method='MP2C', mode='SA', basis='adz', value=-2.3825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-149PHE-1', method='MP2C', mode='SA', basis='adz', value=-2.1618)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-050ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.2572)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-056PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.3874)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-066LEU-1', method='MP2C', mode='SA', basis='adz', value=0.5980)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-083ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.5705)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017MET-020LYS-1', method='MP2C', mode='SA', basis='adz', value=-1.0940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-022SER-2', method='MP2C', mode='SA', basis='adz', value=-2.7711)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-025TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.5895)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-077ASP-1', method='MP2C', mode='SA', basis='adz', value=-7.0233)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-081PHE-1', method='MP2C', mode='SA', basis='adz', value=-2.1907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-084LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.2611)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017THR-078GLU-1', method='MP2C', mode='SA', basis='adz', value=-13.5015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017THR-307TRP-1', method='MP2C', mode='SA', basis='adz', value=-1.4469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017VAL-049LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.5280)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ALA-023VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.1606)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ALA-026GLU-1', method='MP2C', mode='SA', basis='adz', value=-2.7155)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ALA-027VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.1825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ARG-057THR-1', method='MP2C', mode='SA', basis='adz', value=-0.1855)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ASN-227ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.8104)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ASP-032THR-1', method='MP2C', mode='SA', basis='adz', value=-18.3964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ASP-034ALA-1', method='MP2C', mode='SA', basis='adz', value=-3.6816)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018CYS-132HIE-1', method='MP2C', mode='SA', basis='adz', value=-3.6927)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018GLU-074ILE-1', method='MP2C', mode='SA', basis='adz', value=-1.6856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-022GLN-1', method='MP2C', mode='SA', basis='adz', value=-1.1300)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-052VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.3495)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-055ASN-1', method='MP2C', mode='SA', basis='adz', value=-1.1328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-055PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.9244)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018LEU-039ILE-1', method='MP2C', mode='SA', basis='adz', value=2.1479)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018LYS-024TYR-1', method='MP2C', mode='SA', basis='adz', value=-2.1782)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-060HIE-1', method='MP2C', mode='SA', basis='adz', value=-1.3271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-085GLU-1', method='MP2C', mode='SA', basis='adz', value=-0.3120)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-086VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.9917)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-139LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.6396)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018SER-024LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.1212)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018SER-040GLU-1', method='MP2C', mode='SA', basis='adz', value=-16.5094)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018THR-035ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.1627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018VAL-034ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.4661)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018VAL-164TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.3022)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018VAL-166ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.6633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ALA-055HIE-1', method='MP2C', mode='SA', basis='adz', value=-1.2849)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ALA-058TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.1924)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ARG-027ARG-1', method='MP2C', mode='SA', basis='adz', value=60.5570)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ASN-053VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.7373)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019GLN-026GLU-1', method='MP2C', mode='SA', basis='adz', value=-1.6343)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019GLU-022LYS-2', method='MP2C', mode='SA', basis='adz', value=-0.7951)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019GLU-025THR-1', method='MP2C', mode='SA', basis='adz', value=-15.6995)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ILE-051VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.5159)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-037ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.4877)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-041VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.6604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-061ARG-1', method='MP2C', mode='SA', basis='adz', value=-0.4389)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-062LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.6686)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-062LEU-2', method='MP2C', mode='SA', basis='adz', value=-0.8297)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LYS-027VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.4644)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LYS-031HIE-1', method='MP2C', mode='SA', basis='adz', value=-0.3087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LYS-071GLU-1', method='MP2C', mode='SA', basis='adz', value=-115.1930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019PHE-049LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.6280)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019SER-023ARG-1', method='MP2C', mode='SA', basis='adz', value=0.3767)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019SER-023ARG-2', method='MP2C', mode='SA', basis='adz', value=-5.6333)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019SER-026ARG-1', method='MP2C', mode='SA', basis='adz', value=-13.5244)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019THR-022MET-1', method='MP2C', mode='SA', basis='adz', value=-0.8690)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019THR-035GLU-1', method='MP2C', mode='SA', basis='adz', value=-0.7841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019THR-035GLU-2', method='MP2C', mode='SA', basis='adz', value=-2.5329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019TYR-050TRP-1', method='MP2C', mode='SA', basis='adz', value=-3.1907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-027ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.4965)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-058VAL-1', method='MP2C', mode='SA', basis='adz', value=0.0754)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-075LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.2388)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-081LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.3481)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-137ILE-1', method='MP2C', mode='SA', basis='adz', value=0.0161)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-138VAL-1', method='MP2C', mode='SA', basis='adz', value=0.1532)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-138VAL-2', method='MP2C', mode='SA', basis='adz', value=-0.2918)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ASN-039LYS-2', method='MP2C', mode='SA', basis='adz', value=-24.5321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ASN-040LYS-1', method='MP2C', mode='SA', basis='adz', value=-23.2032)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ASP-082LYS-1', method='MP2C', mode='SA', basis='adz', value=-78.9146)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020GLN-036TRP-1', method='MP2C', mode='SA', basis='adz', value=-2.3945)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020GLN-059ARG-1', method='MP2C', mode='SA', basis='adz', value=-1.5466)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020HIE-062ASP-2', method='MP2C', mode='SA', basis='adz', value=10.9431)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020HIE-068LYS-1', method='MP2C', mode='SA', basis='adz', value=-2.0526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-023VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.1640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-032THR-1', method='MP2C', mode='SA', basis='adz', value=-0.4763)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-082ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.2872)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-309ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.2008)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LEU-024VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.6418)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LEU-038ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.1353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LEU-042VAL-1', method='MP2C', mode='SA', basis='adz', value=1.5059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LYS-040GLU-1', method='MP2C', mode='SA', basis='adz', value=-120.3844)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PHE-135PHE-1', method='MP2C', mode='SA', basis='adz', value=-2.0533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PHE-149LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.9728)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-023ARG-2', method='MP2C', mode='SA', basis='adz', value=1.2050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-177PRO-1', method='MP2C', mode='SA', basis='adz', value=-0.8498)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-178LYS-1', method='MP2C', mode='SA', basis='adz', value=-0.7067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-181ILE-1', method='MP2C', mode='SA', basis='adz', value=0.2896)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020SER-058VAL-1', method='MP2C', mode='SA', basis='adz', value=0.4197)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020SER-091ARG-1', method='MP2C', mode='SA', basis='adz', value=-0.3033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020VAL-029TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.7206)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ALA-039TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.5411)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ALA-057VAL-1', method='MP2C', mode='SA', basis='adz', value=-1.0698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ALA-100ASN-1', method='MP2C', mode='SA', basis='adz', value=-0.6572)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ARG-033THR-1', method='MP2C', mode='SA', basis='adz', value=-1.3005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ARG-035GLU-1', method='MP2C', mode='SA', basis='adz', value=-4.0771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ARG-035GLU-2', method='MP2C', mode='SA', basis='adz', value=-90.4013)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021GLN-024LYS-1', method='MP2C', mode='SA', basis='adz', value=-21.8330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021GLN-024LYS-2', method='MP2C', mode='SA', basis='adz', value=-1.0422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021GLN-057TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.7176)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021HIE-061PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.8102)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-031HIE-1', method='MP2C', mode='SA', basis='adz', value=-0.2448)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-036VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.5327)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-038VAL-1', method='MP2C', mode='SA', basis='adz', value=-1.0006)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-041PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.3001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-077LEU-1', method='MP2C', mode='SA', basis='adz', value=0.1818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-088ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.6089)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021LYS-032TYR-1', method='MP2C', mode='SA', basis='adz', value=-11.1934)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021LYS-039ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.6081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021MET-058TYR-1', method='MP2C', mode='SA', basis='adz', value=-3.4771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021MET-062GLN-1', method='MP2C', mode='SA', basis='adz', value=-0.6111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021MET-069ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.9831)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-025GLN-1', method='MP2C', mode='SA', basis='adz', value=-1.8251)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-038VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.4069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-054ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.6948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-060PRO-1', method='MP2C', mode='SA', basis='adz', value=-1.7168)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-072PHE-1', method='MP2C', mode='SA', basis='adz', value=-2.5604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-072THR-1', method='MP2C', mode='SA', basis='adz', value=-1.4551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-076VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.9888)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-079ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.8208)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-082PHE-1', method='MP2C', mode='SA', basis='adz', value=-2.4090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-097LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.0508)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-097LEU-2', method='MP2C', mode='SA', basis='adz', value=-1.5183)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-113ILE-1', method='MP2C', mode='SA', basis='adz', value=0.3089)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-131VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.7684)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-251HIE-1', method='MP2C', mode='SA', basis='adz', value=-1.6136)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-260ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.9347)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021SER-142ASN-1', method='MP2C', mode='SA', basis='adz', value=-1.5541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021THR-148GLN-1', method='MP2C', mode='SA', basis='adz', value=0.1674)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021THR-150LYS-1', method='MP2C', mode='SA', basis='adz', value=-0.4553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021TYR-088PHE-1', method='MP2C', mode='SA', basis='adz', value=-2.2062)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ARG-072GLU-1', method='MP2C', mode='SA', basis='adz', value=-104.7068)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ARG-073GLU-1', method='MP2C', mode='SA', basis='adz', value=-87.1464)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-028GLN-1', method='MP2C', mode='SA', basis='adz', value=2.6341)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-046MET-1', method='MP2C', mode='SA', basis='adz', value=-2.4132)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-055ASN-1', method='MP2C', mode='SA', basis='adz', value=9.8165)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-058GLU-1', method='MP2C', mode='SA', basis='adz', value=-3.4046)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-147TYR-1', method='MP2C', mode='SA', basis='adz', value=-4.5436)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ILE-072HIE-1', method='MP2C', mode='SA', basis='adz', value=-0.8911)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ILE-074ILE-1', method='MP2C', mode='SA', basis='adz', value=2.1193)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-057THR-1', method='MP2C', mode='SA', basis='adz', value=-0.6925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-058PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.1078)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-062ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.6188)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-065LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.4215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-081LYS-2', method='MP2C', mode='SA', basis='adz', value=-0.6356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LYS-086ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.5177)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022MET-041VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.5909)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-027ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.9121)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-031ILE-1', method='MP2C', mode='SA', basis='adz', value=-1.2863)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-039TRP-1', method='MP2C', mode='SA', basis='adz', value=-1.7526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-040ALA-1', method='MP2C', mode='SA', basis='adz', value=-1.2934)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-041PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.6191)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-064VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.8602)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-069VAL-1', method='MP2C', mode='SA', basis='adz', value=-1.0900)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-069VAL-2', method='MP2C', mode='SA', basis='adz', value=-1.3806)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-099ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.7971)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-166ILE-1', method='MP2C', mode='SA', basis='adz', value=-1.0646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-168TYR-1', method='MP2C', mode='SA', basis='adz', value=-2.4377)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022SER-121LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.5463)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-026THR-1', method='MP2C', mode='SA', basis='adz', value=-1.5330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-039TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.9151)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-040TRP-1', method='MP2C', mode='SA', basis='adz', value=-2.2488)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-043ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.6718)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-055LEU-2', method='MP2C', mode='SA', basis='adz', value=-1.7968)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-059VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.9021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022VAL-067LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.3410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022VAL-079TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.5342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022VAL-079TYR-2', method='MP2C', mode='SA', basis='adz', value=-0.8583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ASP-027ARG-1', method='MP2C', mode='SA', basis='adz', value=-104.7545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ASP-042ARG-1', method='MP2C', mode='SA', basis='adz', value=-118.7068)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ASP-057ARG-1', method='MP2C', mode='SA', basis='adz', value=-113.7370)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLN-177PRO-1', method='MP2C', mode='SA', basis='adz', value=-1.5740)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLN-217THR-1', method='MP2C', mode='SA', basis='adz', value=-5.5729)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLU-028LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.9191)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLU-046LYS-1', method='MP2C', mode='SA', basis='adz', value=-108.7294)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ILE-060PRO-1', method='MP2C', mode='SA', basis='adz', value=-0.3521)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-035PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.7764)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-035PHE-2', method='MP2C', mode='SA', basis='adz', value=-0.7465)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-036ARG-1', method='MP2C', mode='SA', basis='adz', value=-0.8446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-055ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.2965)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-097LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.5070)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-029GLU-1', method='MP2C', mode='SA', basis='adz', value=-79.5189)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-029GLU-2', method='MP2C', mode='SA', basis='adz', value=-3.9964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-064TYR-1', method='MP2C', mode='SA', basis='adz', value=-7.4801)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-064TYR-2', method='MP2C', mode='SA', basis='adz', value=-1.2051)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023MET-038ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.7147)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023SER-051ASN-1', method='MP2C', mode='SA', basis='adz', value=2.8596)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023THR-085ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.1319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023TYR-026LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.4765)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023TYR-031TYR-1', method='MP2C', mode='SA', basis='adz', value=-3.0879)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023VAL-041ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.0033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023VAL-055LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.5738)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ALA-034ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.1478)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ARG-073ASN-1', method='MP2C', mode='SA', basis='adz', value=-15.8680)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ARG-076GLU-1', method='MP2C', mode='SA', basis='adz', value=-107.6480)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-027ARG-1', method='MP2C', mode='SA', basis='adz', value=-23.8332)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-027LEU-2', method='MP2C', mode='SA', basis='adz', value=-2.0216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-029ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.5159)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-034TYR-1', method='MP2C', mode='SA', basis='adz', value=-3.6472)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-056PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.5834)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-058TYR-1', method='MP2C', mode='SA', basis='adz', value=-4.0256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASP-065HIE-1', method='MP2C', mode='SA', basis='adz', value=-25.7445)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024CYS-100ASN-1', method='MP2C', mode='SA', basis='adz', value=-2.2491)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-040HIE-1', method='MP2C', mode='SA', basis='adz', value=-24.5537)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-041LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.7998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-050ARG-1', method='MP2C', mode='SA', basis='adz', value=-3.9825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-054ARG-1', method='MP2C', mode='SA', basis='adz', value=-103.7168)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ILE-055TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.7552)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-028GLU-1', method='MP2C', mode='SA', basis='adz', value=-0.4445)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-028GLU-2', method='MP2C', mode='SA', basis='adz', value=-2.2532)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-029GLU-1', method='MP2C', mode='SA', basis='adz', value=-1.8989)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-031LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.9182)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-032VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.4012)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-054VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.4566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-260ILE-1', method='MP2C', mode='SA', basis='adz', value=-1.0149)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-261ASN-1', method='MP2C', mode='SA', basis='adz', value=-0.9654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LYS-057TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.9349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LYS-069TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.7494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LYS-069TYR-2', method='MP2C', mode='SA', basis='adz', value=-9.0925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-089LEU-1', method='MP2C', mode='SA', basis='adz', value=0.2558)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-089THR-1', method='MP2C', mode='SA', basis='adz', value=-0.1187)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-099TRP-1', method='MP2C', mode='SA', basis='adz', value=-2.9647)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-100SER-1', method='MP2C', mode='SA', basis='adz', value=-0.5052)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-130LYS-1', method='MP2C', mode='SA', basis='adz', value=-1.2181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024SER-038THR-1', method='MP2C', mode='SA', basis='adz', value=4.5990)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024THR-041GLU-1', method='MP2C', mode='SA', basis='adz', value=-3.4578)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-032HIE-1', method='MP2C', mode='SA', basis='adz', value=-1.0660)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-049ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.4553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-054PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.6633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-079PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.9383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-142VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.2246)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-143GLN-1', method='MP2C', mode='SA', basis='adz', value=-1.0819)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ALA-035TRP-1', method='MP2C', mode='SA', basis='adz', value=-0.7190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ALA-037ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.4726)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ASN-181ASN-1', method='MP2C', mode='SA', basis='adz', value=-6.8862)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ASN-183THR-1', method='MP2C', mode='SA', basis='adz', value=-5.3957)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-029LYS-1', method='MP2C', mode='SA', basis='adz', value=-0.7888)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-036THR-1', method='MP2C', mode='SA', basis='adz', value=1.3342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-039TYR-1', method='MP2C', mode='SA', basis='adz', value=-3.5912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-260ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.5216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-274ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.8587)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-028VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.3580)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-036VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.4782)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-056LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.1746)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-059ASP-1', method='MP2C', mode='SA', basis='adz', value=-1.7942)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-084ILE-1', method='MP2C', mode='SA', basis='adz', value=0.4595)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-084ILE-2', method='MP2C', mode='SA', basis='adz', value=-0.2488)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-090ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.3628)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-091VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.3030)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-055VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.2786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-060PRO-1', method='MP2C', mode='SA', basis='adz', value=-0.6498)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-075ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.6176)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-075ILE-2', method='MP2C', mode='SA', basis='adz', value=-0.4020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025SER-035ALA-1', method='MP2C', mode='SA', basis='adz', value=0.0439)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025SER-075ASP-1', method='MP2C', mode='SA', basis='adz', value=4.5316)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025SER-100ILE-1', method='MP2C', mode='SA', basis='adz', value=-1.0136)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025THR-045THR-1', method='MP2C', mode='SA', basis='adz', value=-3.9908)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025THR-100TRP-1', method='MP2C', mode='SA', basis='adz', value=-1.1250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025THR-103LYS-1', method='MP2C', mode='SA', basis='adz', value=-16.4702)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-038MET-1', method='MP2C', mode='SA', basis='adz', value=-0.5845)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-135ALA-1', method='MP2C', mode='SA', basis='adz', value=-1.0059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-144LYS-1', method='MP2C', mode='SA', basis='adz', value=-0.7424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-146PHE-1', method='MP2C', mode='SA', basis='adz', value=-3.9581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-152GLU-1', method='MP2C', mode='SA', basis='adz', value=-21.5080)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TYR-080ARG-1', method='MP2C', mode='SA', basis='adz', value=-1.6059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TYR-081PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.7425)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TYR-084LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.3281)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-029TRP-1', method='MP2C', mode='SA', basis='adz', value=-0.7422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-057VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.5415)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-069ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.5465)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-083GLU-2', method='MP2C', mode='SA', basis='adz', value=-1.3367)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-185ARG-1', method='MP2C', mode='SA', basis='adz', value=-0.5638)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASN-054ASN-1', method='MP2C', mode='SA', basis='adz', value=-6.6497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASN-055ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.9457)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASN-058GLU-1', method='MP2C', mode='SA', basis='adz', value=-15.2473)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASP-042PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.9665)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASP-077PHE-1', method='MP2C', mode='SA', basis='adz', value=-3.2576)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLN-065HIE-1', method='MP2C', mode='SA', basis='adz', value=-0.6822)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLN-065HIE-2', method='MP2C', mode='SA', basis='adz', value=-0.7577)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLU-042HIE-1', method='MP2C', mode='SA', basis='adz', value=14.5465)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLU-057TYR-2', method='MP2C', mode='SA', basis='adz', value=-23.1799)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLU-059ARG-1', method='MP2C', mode='SA', basis='adz', value=-97.5237)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ILE-037TRP-1', method='MP2C', mode='SA', basis='adz', value=-0.9896)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ILE-078ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.2338)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-037PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.4723)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-039ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.5169)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-040GLU-1', method='MP2C', mode='SA', basis='adz', value=-1.8059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-041VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.9263)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-135ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.5247)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-029PHE-1', method='MP2C', mode='SA', basis='adz', value=-2.3190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-099ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.5411)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-103HIE-1', method='MP2C', mode='SA', basis='adz', value=-2.7513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-168TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.2491)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-030TRP-1', method='MP2C', mode='SA', basis='adz', value=-1.8322)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-036PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.5773)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-118ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.9110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-217THR-1', method='MP2C', mode='SA', basis='adz', value=-2.7442)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026THR-031LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.2830)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026TYR-062ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.7870)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026TYR-069TYR-1', method='MP2C', mode='SA', basis='adz', value=-2.3542)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026VAL-041GLU-1', method='MP2C', mode='SA', basis='adz', value=-1.9019)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026VAL-041GLU-2', method='MP2C', mode='SA', basis='adz', value=-1.9393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ALA-074LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.6802)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ALA-102ASN-1', method='MP2C', mode='SA', basis='adz', value=-1.1163)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ARG-049GLU-1', method='MP2C', mode='SA', basis='adz', value=-95.4662)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ARG-055THR-1', method='MP2C', mode='SA', basis='adz', value=-2.0213)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ARG-094ASP-1', method='MP2C', mode='SA', basis='adz', value=-96.2140)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ILE-039THR-1', method='MP2C', mode='SA', basis='adz', value=-0.4523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ILE-046PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.4545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ILE-075LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.3981)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027LYS-089LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.5501)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-030ILE-1', method='MP2C', mode='SA', basis='adz', value=-1.3672)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-057VAL-1', method='MP2C', mode='SA', basis='adz', value=-1.8698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-069SER-1', method='MP2C', mode='SA', basis='adz', value=-1.7974)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-071VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.6400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-078GLN-1', method='MP2C', mode='SA', basis='adz', value=-2.1744)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PRO-032MET-1', method='MP2C', mode='SA', basis='adz', value=-0.8303)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027SER-034ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.5041)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027THR-036SER-1', method='MP2C', mode='SA', basis='adz', value=-5.1092)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-070TRP-1', method='MP2C', mode='SA', basis='adz', value=-2.1844)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-085ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.3841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-086TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.0925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-088ILE-1', method='MP2C', mode='SA', basis='adz', value=0.3006)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-090THR-1', method='MP2C', mode='SA', basis='adz', value=-0.3288)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ALA-038VAL-1', method='MP2C', mode='SA', basis='adz', value=0.0334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ALA-041VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.1005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ARG-031GLN-1', method='MP2C', mode='SA', basis='adz', value=-16.7033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028GLU-072HIE-1', method='MP2C', mode='SA', basis='adz', value=-23.5477)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028GLU-097LYS-1', method='MP2C', mode='SA', basis='adz', value=-112.9013)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-036LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.4311)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-091VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.2190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-106VAL-1', method='MP2C', mode='SA', basis='adz', value=1.1149)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-151VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.6821)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-037VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.5569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-055LYS-1', method='MP2C', mode='SA', basis='adz', value=-2.0486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-058ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.7104)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-059ARG-2', method='MP2C', mode='SA', basis='adz', value=-0.5331)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-061GLU-1', method='MP2C', mode='SA', basis='adz', value=-0.8702)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-133PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.5218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LYS-067TYR-1', method='MP2C', mode='SA', basis='adz', value=-2.3256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LYS-317ASN-1', method='MP2C', mode='SA', basis='adz', value=-19.7366)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028MET-031ASP-1', method='MP2C', mode='SA', basis='adz', value=-3.4766)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028MET-037ARG-2', method='MP2C', mode='SA', basis='adz', value=-0.5226)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028MET-040HIE-1', method='MP2C', mode='SA', basis='adz', value=-2.1238)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028PRO-058LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.5274)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028PRO-111LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.8392)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028SER-055THR-1', method='MP2C', mode='SA', basis='adz', value=-3.9878)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028SER-056GLU-1', method='MP2C', mode='SA', basis='adz', value=-2.2031)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-031THR-1', method='MP2C', mode='SA', basis='adz', value=3.0431)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-036MET-1', method='MP2C', mode='SA', basis='adz', value=2.1485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-038VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.4204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-058PHE-1', method='MP2C', mode='SA', basis='adz', value=-2.1794)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-085GLU-1', method='MP2C', mode='SA', basis='adz', value=0.3615)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-086ASN-1', method='MP2C', mode='SA', basis='adz', value=0.2374)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-105PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.6160)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-128PHE-1', method='MP2C', mode='SA', basis='adz', value=0.0542)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-170LEU-1', method='MP2C', mode='SA', basis='adz', value=0.3010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ALA-274ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.5460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ASN-034LYS-2', method='MP2C', mode='SA', basis='adz', value=-25.9890)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ASN-179SER-1', method='MP2C', mode='SA', basis='adz', value=0.4822)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ASP-070ASP-1', method='MP2C', mode='SA', basis='adz', value=83.0427)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029GLN-033ASP-1', method='MP2C', mode='SA', basis='adz', value=5.2662)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029GLU-045LEU-1', method='MP2C', mode='SA', basis='adz', value=-2.0733)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029GLU-055SER-1', method='MP2C', mode='SA', basis='adz', value=-17.6032)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-034VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.4281)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-036PHE-2', method='MP2C', mode='SA', basis='adz', value=-1.8803)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-040GLU-1', method='MP2C', mode='SA', basis='adz', value=-0.5397)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-045GLN-1', method='MP2C', mode='SA', basis='adz', value=-0.8674)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-095TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.2441)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LYS-035GLU-1', method='MP2C', mode='SA', basis='adz', value=-2.2126)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-094LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.7475)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-101TRP-1', method='MP2C', mode='SA', basis='adz', value=-1.2436)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-103HIE-1', method='MP2C', mode='SA', basis='adz', value=-0.1733)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-168TYR-1', method='MP2C', mode='SA', basis='adz', value=-2.0026)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-177ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.9017)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PRO-085GLU-1', method='MP2C', mode='SA', basis='adz', value=-9.7536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029THR-121TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.2919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029THR-121TYR-2', method='MP2C', mode='SA', basis='adz', value=-3.8018)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-302SER-1', method='MP2C', mode='SA', basis='adz', value=-0.7994)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-305ILE-1', method='MP2C', mode='SA', basis='adz', value=-2.4310)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-308ASP-1', method='MP2C', mode='SA', basis='adz', value=-8.7217)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-315PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.8216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TYR-049GLU-1', method='MP2C', mode='SA', basis='adz', value=-2.1014)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029VAL-036VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.4015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029VAL-054LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.0919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029VAL-087LEU-1', method='MP2C', mode='SA', basis='adz', value=0.1195)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ALA-274ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.6643)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ASP-320ARG-1', method='MP2C', mode='SA', basis='adz', value=-99.7900)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLN-034TRP-1', method='MP2C', mode='SA', basis='adz', value=-1.5862)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLN-034TRP-2', method='MP2C', mode='SA', basis='adz', value=-2.3569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLN-036MET-1', method='MP2C', mode='SA', basis='adz', value=-1.1933)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-033GLN-1', method='MP2C', mode='SA', basis='adz', value=-14.8526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-034ASP-1', method='MP2C', mode='SA', basis='adz', value=67.7076)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-038PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.9130)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-042PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.7603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-049PHE-1', method='MP2C', mode='SA', basis='adz', value=-5.1335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-061LYS-1', method='MP2C', mode='SA', basis='adz', value=-113.6045)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ILE-034LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.4865)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ILE-055ILE-1', method='MP2C', mode='SA', basis='adz', value=1.6740)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ILE-093TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.9586)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LEU-034LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.3962)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-078TYR-2', method='MP2C', mode='SA', basis='adz', value=-7.0844)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-083GLU-1', method='MP2C', mode='SA', basis='adz', value=-117.7199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-085GLU-1', method='MP2C', mode='SA', basis='adz', value=-4.2924)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-169THR-1', method='MP2C', mode='SA', basis='adz', value=-15.4919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-042LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.6655)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-044ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.6313)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-061GLU-2', method='MP2C', mode='SA', basis='adz', value=-1.1660)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-151ILE-1', method='MP2C', mode='SA', basis='adz', value=-2.3861)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PRO-057MET-1', method='MP2C', mode='SA', basis='adz', value=-0.0462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030SER-109GLU-1', method='MP2C', mode='SA', basis='adz', value=-16.4897)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030THR-121LYS-1', method='MP2C', mode='SA', basis='adz', value=1.2010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-033THR-1', method='MP2C', mode='SA', basis='adz', value=-0.2112)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-036PHE-1', method='MP2C', mode='SA', basis='adz', value=-2.8066)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-042GLU-1', method='MP2C', mode='SA', basis='adz', value=-20.5233)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-046LEU-1', method='MP2C', mode='SA', basis='adz', value=-2.4600)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-073PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.9117)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-079LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.3614)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-103PHE-1', method='MP2C', mode='SA', basis='adz', value=-3.2231)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-171THR-1', method='MP2C', mode='SA', basis='adz', value=-0.6792)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-176SER-2', method='MP2C', mode='SA', basis='adz', value=-5.5263)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-212GLU-1', method='MP2C', mode='SA', basis='adz', value=-17.4905)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-213GLU-1', method='MP2C', mode='SA', basis='adz', value=-4.6795)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-216SER-1', method='MP2C', mode='SA', basis='adz', value=-1.0719)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-217THR-1', method='MP2C', mode='SA', basis='adz', value=-0.9735)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030VAL-033VAL-1', method='MP2C', mode='SA', basis='adz', value=0.1655)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030VAL-044LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.3179)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030VAL-050ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.7230)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ALA-088VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.1441)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ASP-034HIE-1', method='MP2C', mode='SA', basis='adz', value=21.9836)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-035LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.6392)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-037SER-1', method='MP2C', mode='SA', basis='adz', value=-5.3656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-109LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.3294)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-125LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.7053)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-128GLU-1', method='MP2C', mode='SA', basis='adz', value=-14.0488)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ILE-034ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.3878)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ILE-097TRP-1', method='MP2C', mode='SA', basis='adz', value=-0.9767)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ILE-246ALA-1', method='MP2C', mode='SA', basis='adz', value=0.0511)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-091LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.1696)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-125LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.4328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-168LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.5831)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-213GLU-1', method='MP2C', mode='SA', basis='adz', value=-1.9942)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-060THR-1', method='MP2C', mode='SA', basis='adz', value=-0.6123)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-061ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.9880)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-062HIE-1', method='MP2C', mode='SA', basis='adz', value=-1.1387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-076ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.4467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-092TRP-2', method='MP2C', mode='SA', basis='adz', value=-2.0243)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-095TYR-1', method='MP2C', mode='SA', basis='adz', value=-2.2198)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PRO-097VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.2285)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031THR-085GLU-1', method='MP2C', mode='SA', basis='adz', value=-16.2228)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031THR-128PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.4615)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-060ASP-1', method='MP2C', mode='SA', basis='adz', value=-22.9827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-164VAL-1', method='MP2C', mode='SA', basis='adz', value=-1.7599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-168GLN-1', method='MP2C', mode='SA', basis='adz', value=-2.1164)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-168GLN-2', method='MP2C', mode='SA', basis='adz', value=-2.8404)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-171ALA-1', method='MP2C', mode='SA', basis='adz', value=-1.1403)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TYR-037PHE-2', method='MP2C', mode='SA', basis='adz', value=-2.5656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TYR-048HIE-1', method='MP2C', mode='SA', basis='adz', value=-1.7247)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TYR-051GLN-1', method='MP2C', mode='SA', basis='adz', value=-2.0605)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-056PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.7627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-068LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.7861)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-071VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.4902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-073VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.4933)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-077ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.9172)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032ASP-040HIE-1', method='MP2C', mode='SA', basis='adz', value=-3.4257)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLN-116ASP-1', method='MP2C', mode='SA', basis='adz', value=-20.5220)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLU-035ARG-1', method='MP2C', mode='SA', basis='adz', value=-113.2580)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLU-169THR-1', method='MP2C', mode='SA', basis='adz', value=-3.0479)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLU-169THR-2', method='MP2C', mode='SA', basis='adz', value=-16.0564)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032ILE-036GLU-1', method='MP2C', mode='SA', basis='adz', value=-0.5726)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032ILE-065LEU-1', method='MP2C', mode='SA', basis='adz', value=1.0625)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-080GLU-2', method='MP2C', mode='SA', basis='adz', value=-106.2006)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-083LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.7214)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-091LEU-1', method='MP2C', mode='SA', basis='adz', value=-2.4535)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-091LEU-2', method='MP2C', mode='SA', basis='adz', value=-0.3652)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032PHE-058ASP-1', method='MP2C', mode='SA', basis='adz', value=-2.1194)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032PHE-081VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.7520)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032PHE-095LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.7019)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032SER-057GLU-1', method='MP2C', mode='SA', basis='adz', value=-14.6412)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032THR-093LYS-1', method='MP2C', mode='SA', basis='adz', value=-0.6432)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032THR-094LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.7460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032THR-128LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.2182)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-062ALA-1', method='MP2C', mode='SA', basis='adz', value=-1.4807)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-073PHE-1', method='MP2C', mode='SA', basis='adz', value=-2.6049)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-074VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.8096)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-083ASN-1', method='MP2C', mode='SA', basis='adz', value=-7.1150)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-042ILE-1', method='MP2C', mode='SA', basis='adz', value=0.7602)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-052VAL-1', method='MP2C', mode='SA', basis='adz', value=-1.0516)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-056HIE-1', method='MP2C', mode='SA', basis='adz', value=-0.7553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-068LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.3760)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-080ARG-1', method='MP2C', mode='SA', basis='adz', value=0.5124)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-100VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.0956)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ARG-189PRO-1', method='MP2C', mode='SA', basis='adz', value=-2.0005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ARG-191LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.4979)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ARG-191LEU-2', method='MP2C', mode='SA', basis='adz', value=-1.9798)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ASP-276SER-1', method='MP2C', mode='SA', basis='adz', value=-16.6136)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ASP-279LYS-1', method='MP2C', mode='SA', basis='adz', value=-120.4703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ASP-279LYS-2', method='MP2C', mode='SA', basis='adz', value=-3.4553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033CYS-047TYR-1', method='MP2C', mode='SA', basis='adz', value=-3.0374)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033GLN-092ASN-2', method='MP2C', mode='SA', basis='adz', value=-7.0907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033GLU-036ARG-1', method='MP2C', mode='SA', basis='adz', value=-114.8687)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033HIE-060MET-2', method='MP2C', mode='SA', basis='adz', value=-2.0340)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033HIE-062THR-1', method='MP2C', mode='SA', basis='adz', value=5.7776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ILE-037ASP-1', method='MP2C', mode='SA', basis='adz', value=-1.7538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ILE-061VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.5897)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-053VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.4735)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-059ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.7680)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-061PRO-1', method='MP2C', mode='SA', basis='adz', value=-0.9009)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-089ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.6234)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033PHE-058PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.9611)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033THR-100GLN-1', method='MP2C', mode='SA', basis='adz', value=0.4719)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-062HIE-1', method='MP2C', mode='SA', basis='adz', value=-1.7135)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-091ASN-1', method='MP2C', mode='SA', basis='adz', value=-7.0795)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-094ILE-1', method='MP2C', mode='SA', basis='adz', value=-1.2226)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-094ILE-2', method='MP2C', mode='SA', basis='adz', value=-1.2931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033VAL-048ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.6877)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033VAL-055VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.1453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033VAL-091ASN-1', method='MP2C', mode='SA', basis='adz', value=-0.2592)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ALA-133LYS-1', method='MP2C', mode='SA', basis='adz', value=-0.7796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ALA-152GLU-1', method='MP2C', mode='SA', basis='adz', value=-3.8544)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ARG-060TYR-1', method='MP2C', mode='SA', basis='adz', value=-14.8588)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ARG-064LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.6251)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASN-076SER-1', method='MP2C', mode='SA', basis='adz', value=-1.2155)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASN-078TYR-1', method='MP2C', mode='SA', basis='adz', value=0.0310)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASP-037PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.6721)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASP-061ARG-1', method='MP2C', mode='SA', basis='adz', value=-81.3747)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034HIE-057HIE-1', method='MP2C', mode='SA', basis='adz', value=-0.7385)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ILE-037TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.1662)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LEU-038TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.9157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LEU-044TRP-1', method='MP2C', mode='SA', basis='adz', value=-1.2728)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-068GLU-1', method='MP2C', mode='SA', basis='adz', value=-107.5206)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-070TRP-1', method='MP2C', mode='SA', basis='adz', value=-0.9131)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-070TRP-2', method='MP2C', mode='SA', basis='adz', value=-0.8946)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-086TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.2000)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-086TYR-2', method='MP2C', mode='SA', basis='adz', value=-6.4341)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-045TRP-1', method='MP2C', mode='SA', basis='adz', value=-4.3199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-058CYS-1', method='MP2C', mode='SA', basis='adz', value=-1.6635)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-062HIE-1', method='MP2C', mode='SA', basis='adz', value=-0.7920)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-069MET-1', method='MP2C', mode='SA', basis='adz', value=-1.8049)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-072LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.7797)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-100VAL-2', method='MP2C', mode='SA', basis='adz', value=-2.1470)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PRO-065ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.5912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PRO-075PRO-1', method='MP2C', mode='SA', basis='adz', value=-1.2534)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034SER-105LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.3156)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TRP-037TRP-1', method='MP2C', mode='SA', basis='adz', value=-2.7337)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-136ALA-1', method='MP2C', mode='SA', basis='adz', value=-1.0188)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-143MET-1', method='MP2C', mode='SA', basis='adz', value=-2.6850)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-148VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.3675)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-277TYR-1', method='MP2C', mode='SA', basis='adz', value=0.8880)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-046LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.3408)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-048PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.4870)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-072VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.3215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-077LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.1478)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-111LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.7715)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ALA-065LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.7007)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ALA-067ARG-1', method='MP2C', mode='SA', basis='adz', value=0.8827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ARG-041THR-1', method='MP2C', mode='SA', basis='adz', value=-12.4829)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ARG-042VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.6821)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ASN-172GLU-1', method='MP2C', mode='SA', basis='adz', value=-10.0899)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ASN-174TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.9701)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ASP-046ARG-1', method='MP2C', mode='SA', basis='adz', value=-97.5606)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035CYS-038CYS-1', method='MP2C', mode='SA', basis='adz', value=3.9053)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035CYS-154THR-1', method='MP2C', mode='SA', basis='adz', value=-2.1409)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035GLU-189PRO-1', method='MP2C', mode='SA', basis='adz', value=-0.1492)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035HIE-059ARG-1', method='MP2C', mode='SA', basis='adz', value=-0.8987)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035HIE-059ARG-2', method='MP2C', mode='SA', basis='adz', value=-5.2530)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035HIE-061ARG-1', method='MP2C', mode='SA', basis='adz', value=-2.0142)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LEU-061PRO-1', method='MP2C', mode='SA', basis='adz', value=-0.7521)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LEU-085LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.3681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LYS-083TYR-1', method='MP2C', mode='SA', basis='adz', value=-4.0599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LYS-090GLU-1', method='MP2C', mode='SA', basis='adz', value=-5.4756)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-047TYR-1', method='MP2C', mode='SA', basis='adz', value=-2.1710)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-062THR-1', method='MP2C', mode='SA', basis='adz', value=-2.6255)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-097LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.2497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-111PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.9035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-128PHE-1', method='MP2C', mode='SA', basis='adz', value=-2.1498)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035THR-112LYS-1', method='MP2C', mode='SA', basis='adz', value=-1.6267)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-045HIE-1', method='MP2C', mode='SA', basis='adz', value=-0.0442)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-058PHE-1', method='MP2C', mode='SA', basis='adz', value=-3.5323)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-064ARG-1', method='MP2C', mode='SA', basis='adz', value=-0.7119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-157VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.2283)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-161LYS-1', method='MP2C', mode='SA', basis='adz', value=-15.9664)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ARG-042GLU-1', method='MP2C', mode='SA', basis='adz', value=-108.1943)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ARG-162GLN-1', method='MP2C', mode='SA', basis='adz', value=-17.8836)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036CYS-039CYS-1', method='MP2C', mode='SA', basis='adz', value=0.9453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLN-040HIE-1', method='MP2C', mode='SA', basis='adz', value=-1.9923)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLN-105LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.4030)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-039ARG-1', method='MP2C', mode='SA', basis='adz', value=-116.6634)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-039LYS-1', method='MP2C', mode='SA', basis='adz', value=-112.3935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-045LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.0271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-053VAL-1', method='MP2C', mode='SA', basis='adz', value=-1.4823)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-056ARG-1', method='MP2C', mode='SA', basis='adz', value=-81.0661)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036HIE-063LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.5366)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ILE-040THR-1', method='MP2C', mode='SA', basis='adz', value=-1.4985)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ILE-061ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.5697)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ILE-063TRP-1', method='MP2C', mode='SA', basis='adz', value=-0.4636)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-039MET-1', method='MP2C', mode='SA', basis='adz', value=-0.7973)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-041ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.2525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-046PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.1074)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-046PHE-2', method='MP2C', mode='SA', basis='adz', value=-0.3003)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-047TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.7519)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-098ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.5172)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036MET-049LEU-1', method='MP2C', mode='SA', basis='adz', value=0.1645)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036MET-054VAL-1', method='MP2C', mode='SA', basis='adz', value=3.7886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036PHE-075SER-2', method='MP2C', mode='SA', basis='adz', value=-1.9235)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036PHE-113ASP-1', method='MP2C', mode='SA', basis='adz', value=-4.8881)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036PHE-303TRP-1', method='MP2C', mode='SA', basis='adz', value=-1.6276)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036SER-069THR-1', method='MP2C', mode='SA', basis='adz', value=0.1243)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036THR-090GLU-1', method='MP2C', mode='SA', basis='adz', value=-18.2114)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036THR-104MET-1', method='MP2C', mode='SA', basis='adz', value=-0.8377)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036THR-133PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.3534)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036TRP-047PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.9961)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036TRP-049PRO-1', method='MP2C', mode='SA', basis='adz', value=-1.5787)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036VAL-060TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.1829)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036VAL-070TRP-1', method='MP2C', mode='SA', basis='adz', value=-2.1291)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036VAL-086TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.7643)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ALA-056ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.2914)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ARG-152GLU-1', method='MP2C', mode='SA', basis='adz', value=-117.0699)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASN-040THR-1', method='MP2C', mode='SA', basis='adz', value=3.5913)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASN-067GLU-1', method='MP2C', mode='SA', basis='adz', value=-5.5880)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASP-040ARG-1', method='MP2C', mode='SA', basis='adz', value=-78.8871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASP-064TYR-1', method='MP2C', mode='SA', basis='adz', value=-17.9451)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037HIE-050GLU-1', method='MP2C', mode='SA', basis='adz', value=-23.6847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-116PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.5939)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-125LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.6725)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-162PRO-1', method='MP2C', mode='SA', basis='adz', value=-0.5533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-165VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.1880)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037LYS-162PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.8220)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037PHE-048HIE-1', method='MP2C', mode='SA', basis='adz', value=-1.5819)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037SER-043ASP-1', method='MP2C', mode='SA', basis='adz', value=-5.9738)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037THR-053ILE-1', method='MP2C', mode='SA', basis='adz', value=1.1311)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037THR-085LYS-2', method='MP2C', mode='SA', basis='adz', value=1.1323)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-050ALA-1', method='MP2C', mode='SA', basis='adz', value=-2.3633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-053LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.0661)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-055LYS-1', method='MP2C', mode='SA', basis='adz', value=-14.2083)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-055LYS-2', method='MP2C', mode='SA', basis='adz', value=-0.7947)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-046THR-1', method='MP2C', mode='SA', basis='adz', value=-0.7561)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-050LYS-1', method='MP2C', mode='SA', basis='adz', value=-2.3607)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-066LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.8345)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-068VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.8972)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ASN-199LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.2954)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ASN-202PHE-1', method='MP2C', mode='SA', basis='adz', value=-2.6996)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038CYS-095PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.0938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038GLN-042ASP-1', method='MP2C', mode='SA', basis='adz', value=-20.8410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ILE-085ARG-1', method='MP2C', mode='SA', basis='adz', value=-0.4940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ILE-094LYS-1', method='MP2C', mode='SA', basis='adz', value=0.3395)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-045PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.6895)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-047TYR-2', method='MP2C', mode='SA', basis='adz', value=-1.4120)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-054LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.4450)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-109SER-1', method='MP2C', mode='SA', basis='adz', value=-0.4999)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-109VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.0197)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LYS-047PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.9784)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038MET-041LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.3217)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038MET-146PHE-1', method='MP2C', mode='SA', basis='adz', value=-2.1628)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-042PHE-1', method='MP2C', mode='SA', basis='adz', value=-2.8861)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-042VAL-1', method='MP2C', mode='SA', basis='adz', value=-1.7779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-046ARG-1', method='MP2C', mode='SA', basis='adz', value=-2.0529)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-049PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.2815)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-061VAL-1', method='MP2C', mode='SA', basis='adz', value=-1.4545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-061VAL-2', method='MP2C', mode='SA', basis='adz', value=-1.1588)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-101PRO-1', method='MP2C', mode='SA', basis='adz', value=-0.9073)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PRO-108ARG-1', method='MP2C', mode='SA', basis='adz', value=-1.6783)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038THR-053PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.6407)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-063TRP-1', method='MP2C', mode='SA', basis='adz', value=-4.1789)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-065PRO-1', method='MP2C', mode='SA', basis='adz', value=-2.2289)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-068TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.9410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-073ILE-1', method='MP2C', mode='SA', basis='adz', value=-1.4232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-078ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.7439)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-081TYR-1', method='MP2C', mode='SA', basis='adz', value=-2.2569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-082ILE-1', method='MP2C', mode='SA', basis='adz', value=-1.1302)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-132ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.9084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TYR-060TYR-1', method='MP2C', mode='SA', basis='adz', value=-2.4369)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-041VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.0795)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-072PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.4396)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-082PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.6856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-083ILE-1', method='MP2C', mode='SA', basis='adz', value=0.0040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ALA-095PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.9773)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ARG-043ASN-2', method='MP2C', mode='SA', basis='adz', value=5.3660)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASN-042ARG-1', method='MP2C', mode='SA', basis='adz', value=-20.9654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASN-081SER-1', method='MP2C', mode='SA', basis='adz', value=-1.2933)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASN-083TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.8038)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASP-057THR-1', method='MP2C', mode='SA', basis='adz', value=-15.7913)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039GLN-047ARG-1', method='MP2C', mode='SA', basis='adz', value=-15.5109)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039HIE-057HIE-1', method='MP2C', mode='SA', basis='adz', value=9.4450)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-054LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.8782)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-055TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.8844)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-108ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.6932)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-109CYS-1', method='MP2C', mode='SA', basis='adz', value=2.8020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039LYS-043HIE-1', method='MP2C', mode='SA', basis='adz', value=-0.9174)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039PRO-165PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.9405)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039PRO-166ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.3298)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039PRO-199LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.0308)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039SER-054GLU-1', method='MP2C', mode='SA', basis='adz', value=-16.4791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039SER-067GLU-1', method='MP2C', mode='SA', basis='adz', value=-17.3276)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-046THR-1', method='MP2C', mode='SA', basis='adz', value=-4.4049)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-077LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.1732)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-079LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.6486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-083VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.2367)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-052SER-1', method='MP2C', mode='SA', basis='adz', value=-3.4405)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-064VAL-1', method='MP2C', mode='SA', basis='adz', value=-1.0444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-066LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.7409)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-066LEU-2', method='MP2C', mode='SA', basis='adz', value=-2.0590)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TYR-043ILE-1', method='MP2C', mode='SA', basis='adz', value=1.3996)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039VAL-083TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.6492)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASN-073PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.5824)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASN-077TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.9521)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASN-090ARG-1', method='MP2C', mode='SA', basis='adz', value=-9.0935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASP-065THR-1', method='MP2C', mode='SA', basis='adz', value=2.4777)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040GLU-045GLN-1', method='MP2C', mode='SA', basis='adz', value=-18.0191)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040HIE-103HIE-1', method='MP2C', mode='SA', basis='adz', value=-9.6232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040HIE-105LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.7410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ILE-054VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.3130)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ILE-057LYS-1', method='MP2C', mode='SA', basis='adz', value=-0.4707)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040LEU-063TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.9203)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040MET-085ARG-1', method='MP2C', mode='SA', basis='adz', value=1.1576)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040PHE-052TYR-1', method='MP2C', mode='SA', basis='adz', value=-2.1224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040PHE-116PHE-1', method='MP2C', mode='SA', basis='adz', value=-2.1114)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040PHE-133PHE-1', method='MP2C', mode='SA', basis='adz', value=-2.3696)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-044TRP-1', method='MP2C', mode='SA', basis='adz', value=-1.1988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-048VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.6614)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-162GLN-1', method='MP2C', mode='SA', basis='adz', value=-0.5729)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-186TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.3508)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-270TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.5299)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-052GLN-1', method='MP2C', mode='SA', basis='adz', value=-3.0924)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-055LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.5782)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-121ILE-1', method='MP2C', mode='SA', basis='adz', value=-2.1109)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-121ILE-2', method='MP2C', mode='SA', basis='adz', value=-0.3097)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-122THR-1', method='MP2C', mode='SA', basis='adz', value=-3.2390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-045TYR-1', method='MP2C', mode='SA', basis='adz', value=-3.2688)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-055VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.8150)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-076VAL-1', method='MP2C', mode='SA', basis='adz', value=-1.1285)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-079ILE-1', method='MP2C', mode='SA', basis='adz', value=-1.4005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-082PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.9014)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040VAL-063VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.2302)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ALA-047TRP-1', method='MP2C', mode='SA', basis='adz', value=-2.1746)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ALA-081GLU-1', method='MP2C', mode='SA', basis='adz', value=-0.8958)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ALA-121ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.2566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ARG-051PHE-1', method='MP2C', mode='SA', basis='adz', value=-2.1060)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ASP-084ARG-1', method='MP2C', mode='SA', basis='adz', value=-92.0005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041GLU-045LYS-1', method='MP2C', mode='SA', basis='adz', value=-106.5034)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-058ARG-1', method='MP2C', mode='SA', basis='adz', value=0.5530)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-061PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.4862)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-107PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.2203)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-107PHE-2', method='MP2C', mode='SA', basis='adz', value=-1.2673)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-146PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.4812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-155PRO-1', method='MP2C', mode='SA', basis='adz', value=-0.6642)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-162PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.7566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-170TRP-1', method='MP2C', mode='SA', basis='adz', value=-1.4248)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LYS-045GLN-1', method='MP2C', mode='SA', basis='adz', value=-1.1969)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LYS-107PHE-2', method='MP2C', mode='SA', basis='adz', value=-2.0906)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LYS-110SER-1', method='MP2C', mode='SA', basis='adz', value=-18.2865)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-047SER-1', method='MP2C', mode='SA', basis='adz', value=-1.1573)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-054HIE-1', method='MP2C', mode='SA', basis='adz', value=-3.0908)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-073ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.4624)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-077LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.7716)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-094LYS-1', method='MP2C', mode='SA', basis='adz', value=-6.2399)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-094LYS-2', method='MP2C', mode='SA', basis='adz', value=-1.8603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-104VAL-2', method='MP2C', mode='SA', basis='adz', value=-1.4337)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041VAL-059LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.5753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041VAL-064LYS-1', method='MP2C', mode='SA', basis='adz', value=-0.0225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ALA-082ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.0443)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ASP-045THR-1', method='MP2C', mode='SA', basis='adz', value=-18.1398)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-095PHE-1', method='MP2C', mode='SA', basis='adz', value=-4.8178)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-101PRO-1', method='MP2C', mode='SA', basis='adz', value=-3.9380)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-103PHE-1', method='MP2C', mode='SA', basis='adz', value=-6.2890)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-121ALA-1', method='MP2C', mode='SA', basis='adz', value=-2.4540)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ILE-049PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.7202)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ILE-052PRO-1', method='MP2C', mode='SA', basis='adz', value=-0.4622)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ILE-056PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.6762)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-047ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.3881)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-048ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.8256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-048VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.7073)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-103HIE-1', method='MP2C', mode='SA', basis='adz', value=-0.5026)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-105LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.3849)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LYS-049GLU-1', method='MP2C', mode='SA', basis='adz', value=-121.7044)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-049PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.0738)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-054PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.7830)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-056SER-1', method='MP2C', mode='SA', basis='adz', value=-0.9001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-061LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.5509)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-064LYS-1', method='MP2C', mode='SA', basis='adz', value=-1.1613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-074LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.9433)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-077PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.6065)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-085PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.6225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-087LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.0943)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-088ASP-1', method='MP2C', mode='SA', basis='adz', value=-4.3423)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-089ALA-1', method='MP2C', mode='SA', basis='adz', value=-1.0193)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-089MET-1', method='MP2C', mode='SA', basis='adz', value=-1.6789)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-092TYR-1', method='MP2C', mode='SA', basis='adz', value=-2.5554)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-101VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.8648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042SER-058ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.9304)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042SER-062ASP-1', method='MP2C', mode='SA', basis='adz', value=4.5797)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042THR-052ASN-1', method='MP2C', mode='SA', basis='adz', value=-3.8464)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042TRP-049ARG-1', method='MP2C', mode='SA', basis='adz', value=-11.8194)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ALA-073PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.3816)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ALA-077TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.8987)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ASP-054HIE-1', method='MP2C', mode='SA', basis='adz', value=-24.3543)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ASP-058ARG-1', method='MP2C', mode='SA', basis='adz', value=-117.4338)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ASP-062TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.9547)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043GLU-104ALA-1', method='MP2C', mode='SA', basis='adz', value=-2.0144)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ILE-055LEU-1', method='MP2C', mode='SA', basis='adz', value=0.2745)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-050PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.6798)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-055THR-1', method='MP2C', mode='SA', basis='adz', value=-0.4026)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-071PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.6928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-114SER-1', method='MP2C', mode='SA', basis='adz', value=-0.3088)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-161TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.8294)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043MET-048ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.2024)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043MET-060VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.6051)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043PHE-065PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.5061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043PHE-068TRP-1', method='MP2C', mode='SA', basis='adz', value=-1.8477)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043PHE-073PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.1037)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043THR-059LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.2941)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-048GLN-1', method='MP2C', mode='SA', basis='adz', value=-2.4226)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-049THR-1', method='MP2C', mode='SA', basis='adz', value=-1.0251)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-068LYS-1', method='MP2C', mode='SA', basis='adz', value=-2.0908)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-185HIE-1', method='MP2C', mode='SA', basis='adz', value=-3.0281)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-186TYR-1', method='MP2C', mode='SA', basis='adz', value=-2.1871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043VAL-066LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.1670)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043VAL-069VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.4967)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ALA-052ASP-1', method='MP2C', mode='SA', basis='adz', value=-0.8962)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ASN-048THR-2', method='MP2C', mode='SA', basis='adz', value=-4.8818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ASN-059THR-1', method='MP2C', mode='SA', basis='adz', value=-3.3109)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044GLN-061LYS-2', method='MP2C', mode='SA', basis='adz', value=-27.1151)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044GLU-084ARG-1', method='MP2C', mode='SA', basis='adz', value=-94.0294)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044HIE-067HIE-1', method='MP2C', mode='SA', basis='adz', value=-2.6548)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044HIE-073TRP-1', method='MP2C', mode='SA', basis='adz', value=-2.3223)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044HIE-086GLU-1', method='MP2C', mode='SA', basis='adz', value=-24.6860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ILE-101HIE-1', method='MP2C', mode='SA', basis='adz', value=-0.2142)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-079VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.2590)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-101ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.4428)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-272GLN-1', method='MP2C', mode='SA', basis='adz', value=-1.5409)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-272GLN-2', method='MP2C', mode='SA', basis='adz', value=-0.7698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044MET-061VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.6075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044PHE-048LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.0486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044PHE-130VAL-1', method='MP2C', mode='SA', basis='adz', value=-2.8556)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044PRO-053ASP-1', method='MP2C', mode='SA', basis='adz', value=-3.5084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044SER-093ARG-1', method='MP2C', mode='SA', basis='adz', value=-13.6753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044SER-118ARG-2', method='MP2C', mode='SA', basis='adz', value=-10.2495)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044THR-118TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.0151)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TRP-048TYR-1', method='MP2C', mode='SA', basis='adz', value=-2.4911)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TRP-085PHE-1', method='MP2C', mode='SA', basis='adz', value=-3.5712)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TRP-147TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.3302)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-048LYS-2', method='MP2C', mode='SA', basis='adz', value=-15.2641)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-059ILE-1', method='MP2C', mode='SA', basis='adz', value=-1.0450)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-077LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.2917)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-109LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.2632)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044VAL-174MET-1', method='MP2C', mode='SA', basis='adz', value=-1.2840)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045ALA-054HIE-1', method='MP2C', mode='SA', basis='adz', value=-0.4080)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045ALA-071HIE-1', method='MP2C', mode='SA', basis='adz', value=-2.0105)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045ASP-081GLU-1', method='MP2C', mode='SA', basis='adz', value=90.4174)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045GLN-062LYS-2', method='MP2C', mode='SA', basis='adz', value=-23.1902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045HIE-051GLU-1', method='MP2C', mode='SA', basis='adz', value=-22.8422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045HIE-053ILE-1', method='MP2C', mode='SA', basis='adz', value=-1.9277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-049GLU-1', method='MP2C', mode='SA', basis='adz', value=0.0899)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-049TYR-1', method='MP2C', mode='SA', basis='adz', value=0.3440)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-054PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.9201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-055ASP-1', method='MP2C', mode='SA', basis='adz', value=-2.5723)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-070PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.9652)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-097LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.7514)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LYS-048GLU-1', method='MP2C', mode='SA', basis='adz', value=-4.1435)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LYS-084GLU-1', method='MP2C', mode='SA', basis='adz', value=-71.8884)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-057GLU-1', method='MP2C', mode='SA', basis='adz', value=-7.0928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-061VAL-1', method='MP2C', mode='SA', basis='adz', value=-1.2457)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-066PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.7343)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-075LYS-1', method='MP2C', mode='SA', basis='adz', value=-9.9327)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PRO-080VAL-1', method='MP2C', mode='SA', basis='adz', value=-1.2144)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PRO-100VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.3909)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-048ALA-2', method='MP2C', mode='SA', basis='adz', value=-0.4215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-066VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.3519)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-097SER-1', method='MP2C', mode='SA', basis='adz', value=-0.2887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-168LYS-1', method='MP2C', mode='SA', basis='adz', value=-0.9707)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-048ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.7816)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-049ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.9923)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-100VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.7738)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-272GLN-1', method='MP2C', mode='SA', basis='adz', value=-4.3854)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TYR-053THR-1', method='MP2C', mode='SA', basis='adz', value=-1.7214)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-050ASP-2', method='MP2C', mode='SA', basis='adz', value=-94.7511)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-092TYR-1', method='MP2C', mode='SA', basis='adz', value=1.5784)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-182GLU-1', method='MP2C', mode='SA', basis='adz', value=-76.3143)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-273GLU-1', method='MP2C', mode='SA', basis='adz', value=-112.5515)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ASP-083ASP-2', method='MP2C', mode='SA', basis='adz', value=55.6975)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ILE-071GLU-1', method='MP2C', mode='SA', basis='adz', value=-0.4596)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ILE-074LEU-1', method='MP2C', mode='SA', basis='adz', value=11.5571)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046LEU-068ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.3415)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046LEU-103PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.8789)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-050LYS-1', method='MP2C', mode='SA', basis='adz', value=-2.8600)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-084LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.6862)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-088MET-1', method='MP2C', mode='SA', basis='adz', value=-1.5984)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-107PHE-1', method='MP2C', mode='SA', basis='adz', value=-2.5877)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-119GLN-2', method='MP2C', mode='SA', basis='adz', value=-0.8122)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-121LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.3887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-161TYR-1', method='MP2C', mode='SA', basis='adz', value=-2.1393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PRO-140ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.2338)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PRO-141ARG-1', method='MP2C', mode='SA', basis='adz', value=-0.6556)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046SER-054PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.9038)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046SER-088ASP-1', method='MP2C', mode='SA', basis='adz', value=-5.7308)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046THR-069ASN-1', method='MP2C', mode='SA', basis='adz', value=-3.4636)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046VAL-094PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.7526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ARG-050GLU-1', method='MP2C', mode='SA', basis='adz', value=-81.3206)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ARG-059MET-1', method='MP2C', mode='SA', basis='adz', value=-0.9539)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ASN-062LYS-1', method='MP2C', mode='SA', basis='adz', value=-0.3313)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ASN-276PRO-1', method='MP2C', mode='SA', basis='adz', value=-0.9334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ILE-064LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.2514)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047LEU-055LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.1093)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047LYS-059ASP-1', method='MP2C', mode='SA', basis='adz', value=-112.8825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047PRO-164TRP-1', method='MP2C', mode='SA', basis='adz', value=-1.7651)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047SER-065PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.7927)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TRP-081GLU-1', method='MP2C', mode='SA', basis='adz', value=-9.2041)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TRP-083TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.8002)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-052PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.9494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-053ASP-1', method='MP2C', mode='SA', basis='adz', value=1.9902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-055ASN-1', method='MP2C', mode='SA', basis='adz', value=-0.6677)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-058TYR-1', method='MP2C', mode='SA', basis='adz', value=-2.8293)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-075ILE-1', method='MP2C', mode='SA', basis='adz', value=-1.7182)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-077HIE-1', method='MP2C', mode='SA', basis='adz', value=-0.5037)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-111PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.4040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-136TYR-1', method='MP2C', mode='SA', basis='adz', value=3.2254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ARG-060MET-1', method='MP2C', mode='SA', basis='adz', value=-1.2825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ASN-052ASN-1', method='MP2C', mode='SA', basis='adz', value=-3.9493)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ASP-081THR-1', method='MP2C', mode='SA', basis='adz', value=-18.1201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ASP-131LYS-1', method='MP2C', mode='SA', basis='adz', value=-114.2483)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048GLN-070SER-1', method='MP2C', mode='SA', basis='adz', value=0.2398)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-052PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.3488)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-091ARG-1', method='MP2C', mode='SA', basis='adz', value=-5.8161)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-099HIE-2', method='MP2C', mode='SA', basis='adz', value=-2.7146)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-174MET-1', method='MP2C', mode='SA', basis='adz', value=-3.2777)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-178ASP-1', method='MP2C', mode='SA', basis='adz', value=-25.1700)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ILE-052ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.7370)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ILE-272GLN-1', method='MP2C', mode='SA', basis='adz', value=-0.7427)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ILE-279ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.8510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-070PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.9678)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-070PHE-2', method='MP2C', mode='SA', basis='adz', value=-1.0257)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-074TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.6553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-074TYR-2', method='MP2C', mode='SA', basis='adz', value=-1.4313)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-077GLN-1', method='MP2C', mode='SA', basis='adz', value=-0.4517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-141PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.0178)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LYS-082ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.6590)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LYS-098GLU-1', method='MP2C', mode='SA', basis='adz', value=-109.0619)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048PHE-058PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.7222)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048PHE-101LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.5544)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048PHE-105TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.7028)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048VAL-093THR-1', method='MP2C', mode='SA', basis='adz', value=-0.0005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048VAL-095LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.4875)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048VAL-099ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.5555)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ALA-092TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.0413)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ARG-167GLN-1', method='MP2C', mode='SA', basis='adz', value=-20.1149)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049GLU-080ARG-1', method='MP2C', mode='SA', basis='adz', value=-91.8105)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ILE-059ASP-1', method='MP2C', mode='SA', basis='adz', value=-3.1797)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ILE-070PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.9065)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ILE-100VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.5107)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LEU-054VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.3228)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LEU-107PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.4715)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LYS-121LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.7673)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LYS-158ASP-1', method='MP2C', mode='SA', basis='adz', value=-6.1613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-056PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.5302)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-057GLN-2', method='MP2C', mode='SA', basis='adz', value=-2.8464)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-091ARG-1', method='MP2C', mode='SA', basis='adz', value=-1.0198)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-093VAL-1', method='MP2C', mode='SA', basis='adz', value=-2.4989)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PRO-052TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.8045)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049THR-053LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.5635)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049TYR-054PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.1731)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049TYR-098GLU-1', method='MP2C', mode='SA', basis='adz', value=4.0099)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049TYR-102ASN-1', method='MP2C', mode='SA', basis='adz', value=-4.1676)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-053THR-1', method='MP2C', mode='SA', basis='adz', value=-0.3947)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-124GLN-1', method='MP2C', mode='SA', basis='adz', value=-0.5814)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-127LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.0350)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-131VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.5333)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ALA-081PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.9366)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ARG-054THR-1', method='MP2C', mode='SA', basis='adz', value=-11.9411)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASN-083TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.0800)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASP-053THR-1', method='MP2C', mode='SA', basis='adz', value=-17.2629)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASP-067PHE-1', method='MP2C', mode='SA', basis='adz', value=-2.0818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASP-092TYR-1', method='MP2C', mode='SA', basis='adz', value=-23.2646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050GLN-055TYR-1', method='MP2C', mode='SA', basis='adz', value=-5.1697)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050HIE-065PHE-1', method='MP2C', mode='SA', basis='adz', value=-3.0291)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050HIE-087TYR-1', method='MP2C', mode='SA', basis='adz', value=-9.4988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ILE-053ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.4242)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ILE-071PRO-1', method='MP2C', mode='SA', basis='adz', value=-0.6502)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ILE-079VAL-1', method='MP2C', mode='SA', basis='adz', value=0.1029)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050LYS-056GLU-1', method='MP2C', mode='SA', basis='adz', value=-110.7652)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PHE-071PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.2320)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PRO-053TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.2854)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PRO-058PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.3950)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PRO-096TYR-1', method='MP2C', mode='SA', basis='adz', value=0.8875)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050SER-066PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.0014)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050THR-143THR-1', method='MP2C', mode='SA', basis='adz', value=-0.0536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050TRP-054GLU-1', method='MP2C', mode='SA', basis='adz', value=-6.0190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050VAL-054THR-1', method='MP2C', mode='SA', basis='adz', value=2.1465)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051CYS-154LYS-1', method='MP2C', mode='SA', basis='adz', value=-7.6851)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051CYS-156THR-1', method='MP2C', mode='SA', basis='adz', value=2.4497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLN-089GLU-1', method='MP2C', mode='SA', basis='adz', value=-4.9969)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLN-089GLU-2', method='MP2C', mode='SA', basis='adz', value=-23.6769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLN-098TYR-1', method='MP2C', mode='SA', basis='adz', value=-2.0670)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLU-056MET-1', method='MP2C', mode='SA', basis='adz', value=-0.2482)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLU-056MET-2', method='MP2C', mode='SA', basis='adz', value=-2.7547)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051HIE-277ASP-1', method='MP2C', mode='SA', basis='adz', value=-23.3763)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051ILE-068LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.9409)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-055ASP-1', method='MP2C', mode='SA', basis='adz', value=-2.7078)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-080ARG-1', method='MP2C', mode='SA', basis='adz', value=-1.7842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-096TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.6176)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-131LYS-1', method='MP2C', mode='SA', basis='adz', value=-0.8580)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-058VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.2312)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-091ARG-1', method='MP2C', mode='SA', basis='adz', value=-5.4890)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-091ARG-2', method='MP2C', mode='SA', basis='adz', value=-1.5370)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-175PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.0195)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051THR-152PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.1002)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-093VAL-1', method='MP2C', mode='SA', basis='adz', value=-1.3484)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-095LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.5853)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-097ARG-1', method='MP2C', mode='SA', basis='adz', value=-6.6167)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-097ARG-2', method='MP2C', mode='SA', basis='adz', value=-2.2282)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-107PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.8772)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051VAL-071ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.5681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051VAL-104ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.3813)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ASN-061ASN-1', method='MP2C', mode='SA', basis='adz', value=-6.1676)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ASN-143THR-1', method='MP2C', mode='SA', basis='adz', value=1.8583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052GLN-069ARG-1', method='MP2C', mode='SA', basis='adz', value=-9.5568)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052GLN-117PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.9794)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ILE-056GLN-1', method='MP2C', mode='SA', basis='adz', value=-1.0587)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ILE-087VAL-1', method='MP2C', mode='SA', basis='adz', value=0.5205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ILE-100VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.0008)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-060LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.4196)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-062PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.4782)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-062PHE-2', method='MP2C', mode='SA', basis='adz', value=-1.3306)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-070PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.7409)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-141PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.1890)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-152PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.5751)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-056MET-1', method='MP2C', mode='SA', basis='adz', value=-2.8180)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-061CYS-1', method='MP2C', mode='SA', basis='adz', value=-1.1823)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-071PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.1217)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-073THR-1', method='MP2C', mode='SA', basis='adz', value=-1.1632)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-075ILE-1', method='MP2C', mode='SA', basis='adz', value=-1.1794)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-111PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.1511)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-141MET-1', method='MP2C', mode='SA', basis='adz', value=-2.2559)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-148ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.8608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-157ILE-1', method='MP2C', mode='SA', basis='adz', value=-1.1921)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PRO-109LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.4916)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052SER-063PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.9277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052TYR-058PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.6429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052TYR-061ASP-1', method='MP2C', mode='SA', basis='adz', value=-23.7976)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052TYR-116PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.6492)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052VAL-057SER-1', method='MP2C', mode='SA', basis='adz', value=-0.1351)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ASN-063SER-1', method='MP2C', mode='SA', basis='adz', value=-4.1786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ASN-131VAL-1', method='MP2C', mode='SA', basis='adz', value=-1.2409)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ASP-058TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.6498)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-066LEU-1', method='MP2C', mode='SA', basis='adz', value=0.1231)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-069PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.0819)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-075LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.0085)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-077LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.6014)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053LEU-057PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.8799)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053LEU-091ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.4743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053MET-140ASP-1', method='MP2C', mode='SA', basis='adz', value=-5.8477)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053SER-089GLU-1', method='MP2C', mode='SA', basis='adz', value=-18.0447)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-059LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.2356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-083ASP-1', method='MP2C', mode='SA', basis='adz', value=-24.1544)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-092TYR-1', method='MP2C', mode='SA', basis='adz', value=-2.2986)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-094LYS-1', method='MP2C', mode='SA', basis='adz', value=-1.8854)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-142ALA-1', method='MP2C', mode='SA', basis='adz', value=-1.1376)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-169MET-1', method='MP2C', mode='SA', basis='adz', value=-3.3266)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-057ARG-1', method='MP2C', mode='SA', basis='adz', value=-2.0238)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-068PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.3468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-074ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.6675)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-117PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.4699)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054ASN-069PHE-1', method='MP2C', mode='SA', basis='adz', value=-4.0446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054ASN-141ASN-1', method='MP2C', mode='SA', basis='adz', value=2.0995)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054GLU-057ARG-2', method='MP2C', mode='SA', basis='adz', value=-92.8427)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054GLU-058ARG-1', method='MP2C', mode='SA', basis='adz', value=-116.0490)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054GLU-141GLN-1', method='MP2C', mode='SA', basis='adz', value=-12.6729)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054ILE-074ALA-1', method='MP2C', mode='SA', basis='adz', value=0.6881)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-061LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.7164)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-063PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.2816)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-069VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.3272)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-091LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.7625)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-091LEU-2', method='MP2C', mode='SA', basis='adz', value=0.7328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054PHE-101ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.6217)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054THR-057ASP-2', method='MP2C', mode='SA', basis='adz', value=1.4287)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054VAL-091ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.0277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054VAL-097ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.3998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASN-058GLU-1', method='MP2C', mode='SA', basis='adz', value=-4.8143)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASN-058TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.5606)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-069ARG-1', method='MP2C', mode='SA', basis='adz', value=-116.1159)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-104LYS-1', method='MP2C', mode='SA', basis='adz', value=-85.9754)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-105TYR-1', method='MP2C', mode='SA', basis='adz', value=-10.2429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-185ARG-1', method='MP2C', mode='SA', basis='adz', value=-110.8604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055GLN-272GLU-1', method='MP2C', mode='SA', basis='adz', value=6.0370)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055GLU-121LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.9253)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-059ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.6558)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-061CYS-1', method='MP2C', mode='SA', basis='adz', value=-0.5783)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-151THR-1', method='MP2C', mode='SA', basis='adz', value=-0.9031)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-155ILE-1', method='MP2C', mode='SA', basis='adz', value=1.5040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055LEU-060VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.6764)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055PHE-139ALA-1', method='MP2C', mode='SA', basis='adz', value=-1.0105)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055PHE-141GLN-1', method='MP2C', mode='SA', basis='adz', value=-1.4629)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055PHE-141GLN-2', method='MP2C', mode='SA', basis='adz', value=-1.3858)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055SER-071PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.3139)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055SER-152PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.6842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055THR-072THR-1', method='MP2C', mode='SA', basis='adz', value=0.5916)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055VAL-059ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.4670)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ALA-061VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.4695)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ALA-175PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.6259)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ARG-061LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.2905)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056HIE-287LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.8807)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056HIE-287LEU-2', method='MP2C', mode='SA', basis='adz', value=-1.1584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ILE-059PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.1306)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ILE-059PHE-2', method='MP2C', mode='SA', basis='adz', value=-1.1082)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056LEU-069LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.3495)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056LYS-160ASP-1', method='MP2C', mode='SA', basis='adz', value=-108.5961)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056MET-059MET-1', method='MP2C', mode='SA', basis='adz', value=-1.1799)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056MET-181ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.7755)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056PHE-062PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.2878)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056PHE-129PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.8624)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056PHE-152PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.1874)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056SER-076LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.3015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056TYR-062TYR-1', method='MP2C', mode='SA', basis='adz', value=-3.4815)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056TYR-064VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.0001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056TYR-084ILE-1', method='MP2C', mode='SA', basis='adz', value=-1.7229)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057ARG-067VAL-1', method='MP2C', mode='SA', basis='adz', value=-1.2893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057GLU-061ARG-1', method='MP2C', mode='SA', basis='adz', value=-87.9964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057MET-060MET-1', method='MP2C', mode='SA', basis='adz', value=-0.9323)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-060LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.0848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-066ILE-1', method='MP2C', mode='SA', basis='adz', value=-1.1725)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-098VAL-1', method='MP2C', mode='SA', basis='adz', value=-1.4867)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-116PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.1322)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-163ILE-1', method='MP2C', mode='SA', basis='adz', value=-1.1571)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PRO-063TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.4910)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057TYR-091LEU-1', method='MP2C', mode='SA', basis='adz', value=-2.4736)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057VAL-084ASP-1', method='MP2C', mode='SA', basis='adz', value=-3.3086)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057VAL-084ASP-2', method='MP2C', mode='SA', basis='adz', value=-2.1149)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057VAL-181ASN-1', method='MP2C', mode='SA', basis='adz', value=-0.9378)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ARG-062LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.8413)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ARG-141GLN-1', method='MP2C', mode='SA', basis='adz', value=-9.6783)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ASP-279LYS-1', method='MP2C', mode='SA', basis='adz', value=-107.3583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058GLN-067PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.4846)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058GLN-067PHE-2', method='MP2C', mode='SA', basis='adz', value=-0.9636)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058HIE-067GLN-1', method='MP2C', mode='SA', basis='adz', value=-1.4713)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058HIE-115GLN-1', method='MP2C', mode='SA', basis='adz', value=-3.8540)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ILE-097TRP-1', method='MP2C', mode='SA', basis='adz', value=-1.7711)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LEU-071VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.7830)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LEU-084LEU-1', method='MP2C', mode='SA', basis='adz', value=0.0519)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LEU-094GLN-1', method='MP2C', mode='SA', basis='adz', value=-0.4947)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LYS-122VAL-1', method='MP2C', mode='SA', basis='adz', value=-2.1736)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-062ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.8383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-062TYR-1', method='MP2C', mode='SA', basis='adz', value=-3.2608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-070TRP-1', method='MP2C', mode='SA', basis='adz', value=-3.7814)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-081PHE-1', method='MP2C', mode='SA', basis='adz', value=-2.3182)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-101ILE-1', method='MP2C', mode='SA', basis='adz', value=1.0755)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-131VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.5111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TRP-084SER-1', method='MP2C', mode='SA', basis='adz', value=-3.2744)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TRP-180SER-1', method='MP2C', mode='SA', basis='adz', value=-1.0396)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-062GLN-1', method='MP2C', mode='SA', basis='adz', value=-0.9140)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-062GLN-2', method='MP2C', mode='SA', basis='adz', value=-2.2178)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-062LYS-1', method='MP2C', mode='SA', basis='adz', value=-8.1911)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-066VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.6069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-068ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.6134)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-077ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.9539)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058VAL-085ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.1326)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ARG-065MET-1', method='MP2C', mode='SA', basis='adz', value=-0.2270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ARG-067GLN-2', method='MP2C', mode='SA', basis='adz', value=-22.3424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ASN-062LYS-2', method='MP2C', mode='SA', basis='adz', value=-26.0662)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ILE-068ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.6043)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ILE-094LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.5762)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LEU-117VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.7584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LEU-117VAL-2', method='MP2C', mode='SA', basis='adz', value=-0.1617)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LEU-119GLN-1', method='MP2C', mode='SA', basis='adz', value=-1.4136)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LYS-063ASP-2', method='MP2C', mode='SA', basis='adz', value=-114.6269)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LYS-075TRP-1', method='MP2C', mode='SA', basis='adz', value=-7.4665)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LYS-135ASP-1', method='MP2C', mode='SA', basis='adz', value=-2.7966)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-063ASN-1', method='MP2C', mode='SA', basis='adz', value=-3.4357)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-118THR-1', method='MP2C', mode='SA', basis='adz', value=-0.0072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-120TRP-1', method='MP2C', mode='SA', basis='adz', value=-1.7575)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-127ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.6536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059THR-088TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.7848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059VAL-084LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.8842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059VAL-136TRP-1', method='MP2C', mode='SA', basis='adz', value=-1.4029)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060ALA-081LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.5872)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060ASP-165ASP-1', method='MP2C', mode='SA', basis='adz', value=78.7841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-068PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.5543)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-095PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.9391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-095PHE-2', method='MP2C', mode='SA', basis='adz', value=-0.8542)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-098VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.4128)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-120VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.9511)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-152PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.0120)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060MET-070GLU-1', method='MP2C', mode='SA', basis='adz', value=1.2557)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060THR-087LYS-1', method='MP2C', mode='SA', basis='adz', value=-17.5305)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060THR-176ARG-1', method='MP2C', mode='SA', basis='adz', value=-12.3365)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060TYR-064LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.0557)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060TYR-128PRO-2', method='MP2C', mode='SA', basis='adz', value=-1.6190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060VAL-063TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.9106)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060VAL-157PRO-1', method='MP2C', mode='SA', basis='adz', value=-0.7876)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ALA-080ALA-1', method='MP2C', mode='SA', basis='adz', value=0.0131)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ARG-083GLU-1', method='MP2C', mode='SA', basis='adz', value=-2.3665)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ARG-083GLU-2', method='MP2C', mode='SA', basis='adz', value=-90.7869)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ARG-084LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.3104)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ASN-065ASN-2', method='MP2C', mode='SA', basis='adz', value=-4.3711)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ASP-065LYS-1', method='MP2C', mode='SA', basis='adz', value=-5.8704)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-080ARG-2', method='MP2C', mode='SA', basis='adz', value=-77.6742)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-088PHE-1', method='MP2C', mode='SA', basis='adz', value=-4.3954)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-142MET-1', method='MP2C', mode='SA', basis='adz', value=-7.8092)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-145LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.6953)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-064PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.4698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-086ASP-1', method='MP2C', mode='SA', basis='adz', value=-1.0356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-089MET-1', method='MP2C', mode='SA', basis='adz', value=-0.3081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-091ILE-1', method='MP2C', mode='SA', basis='adz', value=0.0391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-092TRP-1', method='MP2C', mode='SA', basis='adz', value=-0.1213)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-098LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.6830)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-155ASP-1', method='MP2C', mode='SA', basis='adz', value=-2.2281)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061LEU-065MET-1', method='MP2C', mode='SA', basis='adz', value=-0.4724)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061LEU-079ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.2827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-068VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.5605)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-086VAL-1', method='MP2C', mode='SA', basis='adz', value=-1.0345)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-086VAL-2', method='MP2C', mode='SA', basis='adz', value=-0.6001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-099ALA-1', method='MP2C', mode='SA', basis='adz', value=-2.1015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-117VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.6493)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PRO-088PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.2532)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061THR-081THR-1', method='MP2C', mode='SA', basis='adz', value=-0.2327)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061THR-083GLU-1', method='MP2C', mode='SA', basis='adz', value=-13.7213)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061TYR-066LEU-1', method='MP2C', mode='SA', basis='adz', value=-2.1273)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061VAL-064TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.2246)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061VAL-066VAL-1', method='MP2C', mode='SA', basis='adz', value=0.5115)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061VAL-068ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.8305)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ALA-070MET-1', method='MP2C', mode='SA', basis='adz', value=-1.0178)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ASP-080ARG-1', method='MP2C', mode='SA', basis='adz', value=-85.8532)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-110GLN-1', method='MP2C', mode='SA', basis='adz', value=-6.2543)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-112PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.0856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-171PRO-1', method='MP2C', mode='SA', basis='adz', value=2.7014)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-173TYR-1', method='MP2C', mode='SA', basis='adz', value=-2.4712)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-173TYR-2', method='MP2C', mode='SA', basis='adz', value=-1.1952)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-070GLU-1', method='MP2C', mode='SA', basis='adz', value=-7.4496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-072LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.7437)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-073TYR-1', method='MP2C', mode='SA', basis='adz', value=4.5470)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-076ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.6345)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-067ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.2072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-069TYR-1', method='MP2C', mode='SA', basis='adz', value=-2.0708)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-105TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.4391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-107PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.8324)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LEU-075ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.2275)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LEU-077ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.5430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LEU-079LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.4389)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LYS-067PHE-2', method='MP2C', mode='SA', basis='adz', value=-1.6858)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LYS-147GLU-1', method='MP2C', mode='SA', basis='adz', value=-3.2240)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062PHE-120TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.6216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062PHE-128PRO-1', method='MP2C', mode='SA', basis='adz', value=0.1257)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062THR-099ARG-1', method='MP2C', mode='SA', basis='adz', value=-8.6476)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062THR-102HIE-1', method='MP2C', mode='SA', basis='adz', value=-1.1406)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TRP-073ALA-1', method='MP2C', mode='SA', basis='adz', value=-1.5080)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TRP-164PHE-1', method='MP2C', mode='SA', basis='adz', value=-3.9640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TRP-166PRO-1', method='MP2C', mode='SA', basis='adz', value=-1.0400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-077PHE-1', method='MP2C', mode='SA', basis='adz', value=-2.1865)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-083GLU-1', method='MP2C', mode='SA', basis='adz', value=-21.4882)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-084ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.9980)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-093ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.3294)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-095TRP-1', method='MP2C', mode='SA', basis='adz', value=-2.2463)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063ASN-081THR-1', method='MP2C', mode='SA', basis='adz', value=-2.8302)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063GLN-067ASP-1', method='MP2C', mode='SA', basis='adz', value=12.4025)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063GLN-136TRP-1', method='MP2C', mode='SA', basis='adz', value=-3.0571)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063GLN-165ASP-1', method='MP2C', mode='SA', basis='adz', value=-9.3203)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063ILE-077LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.2721)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063LEU-068HIE-1', method='MP2C', mode='SA', basis='adz', value=-1.3778)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063LEU-108LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.5393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063LEU-140LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.1182)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-090GLN-1', method='MP2C', mode='SA', basis='adz', value=-0.5395)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-090GLN-2', method='MP2C', mode='SA', basis='adz', value=-0.7150)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-091ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.7661)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-094VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.9372)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063THR-092TRP-1', method='MP2C', mode='SA', basis='adz', value=-1.0448)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-081TYR-1', method='MP2C', mode='SA', basis='adz', value=1.9067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-085MET-1', method='MP2C', mode='SA', basis='adz', value=-2.3484)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-098LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.2472)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-136PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.5051)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063VAL-067LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.4636)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063VAL-154THR-1', method='MP2C', mode='SA', basis='adz', value=-0.4917)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064GLU-111TRP-1', method='MP2C', mode='SA', basis='adz', value=-1.4121)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-072PRO-1', method='MP2C', mode='SA', basis='adz', value=-1.2895)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-084TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.9430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-084TYR-2', method='MP2C', mode='SA', basis='adz', value=-3.0319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-090TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.0930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064PHE-097PRO-1', method='MP2C', mode='SA', basis='adz', value=-1.2573)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064PHE-123THR-1', method='MP2C', mode='SA', basis='adz', value=-0.9311)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064PHE-125TRP-1', method='MP2C', mode='SA', basis='adz', value=-2.9791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064SER-171PRO-1', method='MP2C', mode='SA', basis='adz', value=1.9242)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064THR-116PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.6851)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-068LYS-1', method='MP2C', mode='SA', basis='adz', value=-5.0804)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-078PHE-1', method='MP2C', mode='SA', basis='adz', value=-2.3956)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-082VAL-1', method='MP2C', mode='SA', basis='adz', value=-1.1199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-083LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.6302)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-164PHE-1', method='MP2C', mode='SA', basis='adz', value=-2.5617)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064VAL-073ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.0841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064VAL-143GLN-2', method='MP2C', mode='SA', basis='adz', value=-1.5796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065ALA-070PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.6717)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065ASN-110GLN-1', method='MP2C', mode='SA', basis='adz', value=-2.0083)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065ASP-110GLN-1', method='MP2C', mode='SA', basis='adz', value=-5.0304)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065GLN-088TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.0939)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065LEU-077VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.4606)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065LEU-080VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.9199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065MET-117PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.9608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065PHE-095LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.6033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065PRO-101LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.4290)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065PRO-111TRP-1', method='MP2C', mode='SA', basis='adz', value=-2.6653)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065SER-068TYR-1', method='MP2C', mode='SA', basis='adz', value=1.1582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065SER-108TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.5916)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065THR-069ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.4759)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065THR-082LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.9930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065TRP-146THR-1', method='MP2C', mode='SA', basis='adz', value=-0.9207)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065TRP-154THR-1', method='MP2C', mode='SA', basis='adz', value=-0.4861)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065TYR-090PRO-1', method='MP2C', mode='SA', basis='adz', value=-1.7495)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ALA-084ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.2490)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ALA-136TRP-1', method='MP2C', mode='SA', basis='adz', value=-1.1351)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ARG-167GLU-1', method='MP2C', mode='SA', basis='adz', value=-116.4961)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ASP-069ARG-2', method='MP2C', mode='SA', basis='adz', value=-92.1255)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066GLN-070ASN-1', method='MP2C', mode='SA', basis='adz', value=-4.0951)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066HIE-069GLU-1', method='MP2C', mode='SA', basis='adz', value=-2.4012)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ILE-146VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.5669)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066LEU-073PRO-1', method='MP2C', mode='SA', basis='adz', value=-0.9462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066LEU-138THR-1', method='MP2C', mode='SA', basis='adz', value=-0.4881)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066PHE-075LYS-1', method='MP2C', mode='SA', basis='adz', value=-0.7309)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066PHE-109SER-1', method='MP2C', mode='SA', basis='adz', value=0.0662)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066PRO-095TRP-1', method='MP2C', mode='SA', basis='adz', value=-3.0502)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066TRP-109TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.6146)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066TRP-110PRO-1', method='MP2C', mode='SA', basis='adz', value=-1.7661)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066VAL-085ALA-1', method='MP2C', mode='SA', basis='adz', value=0.3571)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067ARG-077ILE-1', method='MP2C', mode='SA', basis='adz', value=0.2947)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067ASP-070ALA-1', method='MP2C', mode='SA', basis='adz', value=-2.1521)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067GLN-115GLN-1', method='MP2C', mode='SA', basis='adz', value=-5.5480)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067GLN-117PHE-1', method='MP2C', mode='SA', basis='adz', value=-2.3226)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067GLU-139TYR-1', method='MP2C', mode='SA', basis='adz', value=-2.7507)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067HIE-070HIE-1', method='MP2C', mode='SA', basis='adz', value=-4.6166)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067HIE-086GLU-1', method='MP2C', mode='SA', basis='adz', value=-4.2194)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067LEU-078LYS-1', method='MP2C', mode='SA', basis='adz', value=-0.5635)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067LEU-107LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.4765)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067LEU-109VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.4977)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067PRO-095TRP-1', method='MP2C', mode='SA', basis='adz', value=-4.2522)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067PRO-101ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.5372)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067SER-073TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.2093)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067THR-080TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.9459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067THR-082VAL-2', method='MP2C', mode='SA', basis='adz', value=-0.6672)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067VAL-085ASN-1', method='MP2C', mode='SA', basis='adz', value=2.3017)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ARG-072THR-1', method='MP2C', mode='SA', basis='adz', value=-12.0420)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068HIE-075LYS-1', method='MP2C', mode='SA', basis='adz', value=-10.4352)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068HIE-080GLU-1', method='MP2C', mode='SA', basis='adz', value=1.9729)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068HIE-123ASP-1', method='MP2C', mode='SA', basis='adz', value=-24.8430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ILE-072LYS-1', method='MP2C', mode='SA', basis='adz', value=-2.1618)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ILE-084TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.6936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ILE-091LEU-1', method='MP2C', mode='SA', basis='adz', value=0.0652)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068LEU-081VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.3171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068LEU-146PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.0556)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068MET-131LEU-1', method='MP2C', mode='SA', basis='adz', value=0.4645)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-076LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.8525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-076LEU-2', method='MP2C', mode='SA', basis='adz', value=-1.0776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-077ILE-1', method='MP2C', mode='SA', basis='adz', value=-1.4204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-077VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.7724)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-080LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.7764)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-080VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.8662)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-083LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.7218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-110LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.7715)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068TYR-073ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.8546)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068TYR-078ALA-1', method='MP2C', mode='SA', basis='adz', value=-2.0715)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068TYR-082HIE-1', method='MP2C', mode='SA', basis='adz', value=-1.4887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069ARG-075ILE-1', method='MP2C', mode='SA', basis='adz', value=-1.7228)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069ASN-119VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.4956)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-076ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.8661)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-076ILE-2', method='MP2C', mode='SA', basis='adz', value=-6.2288)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-078ARG-1', method='MP2C', mode='SA', basis='adz', value=-115.4630)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-123ASP-1', method='MP2C', mode='SA', basis='adz', value=61.7936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069HIE-075ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.6437)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069HIE-078PHE-1', method='MP2C', mode='SA', basis='adz', value=-2.8172)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069ILE-101ILE-1', method='MP2C', mode='SA', basis='adz', value=0.6656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069PHE-078GLU-1', method='MP2C', mode='SA', basis='adz', value=-5.2498)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069PHE-080TYR-1', method='MP2C', mode='SA', basis='adz', value=-2.0644)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069PHE-166TYR-1', method='MP2C', mode='SA', basis='adz', value=1.9507)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069THR-080LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.4545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-073TRP-1', method='MP2C', mode='SA', basis='adz', value=-2.4636)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-086GLU-1', method='MP2C', mode='SA', basis='adz', value=-1.0383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-086ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.5218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-114VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.3925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070ASN-080GLU-1', method='MP2C', mode='SA', basis='adz', value=7.6529)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070ASP-076THR-1', method='MP2C', mode='SA', basis='adz', value=-13.8995)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070GLU-073LYS-1', method='MP2C', mode='SA', basis='adz', value=-1.2878)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070GLU-073LYS-2', method='MP2C', mode='SA', basis='adz', value=-91.3740)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070MET-075ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.6625)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070PHE-120TYR-1', method='MP2C', mode='SA', basis='adz', value=-2.4299)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070SER-082VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.6785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070THR-120ASN-1', method='MP2C', mode='SA', basis='adz', value=6.1207)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070THR-124THR-2', method='MP2C', mode='SA', basis='adz', value=-3.8986)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070TRP-084VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.9330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070TRP-138LEU-1', method='MP2C', mode='SA', basis='adz', value=-2.3594)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070TRP-174PRO-1', method='MP2C', mode='SA', basis='adz', value=-2.2141)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071ASP-074LYS-1', method='MP2C', mode='SA', basis='adz', value=-3.7038)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071LYS-195ASP-1', method='MP2C', mode='SA', basis='adz', value=-4.0430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-080ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.8097)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-080LYS-1', method='MP2C', mode='SA', basis='adz', value=-0.8273)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-086ILE-1', method='MP2C', mode='SA', basis='adz', value=-1.2450)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-108ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.9481)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-114SER-1', method='MP2C', mode='SA', basis='adz', value=0.0260)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071SER-082HIE-1', method='MP2C', mode='SA', basis='adz', value=-5.1410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-076LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.1175)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-078GLU-1', method='MP2C', mode='SA', basis='adz', value=-4.6301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-099TRP-1', method='MP2C', mode='SA', basis='adz', value=-5.8003)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-100SER-1', method='MP2C', mode='SA', basis='adz', value=-1.6227)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-125PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.9283)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-165ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.1652)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-166TYR-1', method='MP2C', mode='SA', basis='adz', value=-2.0149)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-077ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.2742)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-083ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.3843)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-085ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.2293)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-119VAL-1', method='MP2C', mode='SA', basis='adz', value=0.3164)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ARG-116ASP-1', method='MP2C', mode='SA', basis='adz', value=-92.8102)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ARG-118TYR-2', method='MP2C', mode='SA', basis='adz', value=-5.8650)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ASN-075ARG-1', method='MP2C', mode='SA', basis='adz', value=-17.5691)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072HIE-093TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.7558)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072HIE-095PRO-1', method='MP2C', mode='SA', basis='adz', value=-1.7761)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-077PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.2005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-082HIE-1', method='MP2C', mode='SA', basis='adz', value=-1.6504)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-116PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.9112)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-116PHE-2', method='MP2C', mode='SA', basis='adz', value=-1.3897)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072THR-175GLN-1', method='MP2C', mode='SA', basis='adz', value=-0.8183)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072TYR-076ARG-2', method='MP2C', mode='SA', basis='adz', value=-1.3289)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072TYR-127ASN-1', method='MP2C', mode='SA', basis='adz', value=-0.0979)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072VAL-176PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.5431)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ARG-076LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.9801)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ARG-119ASP-1', method='MP2C', mode='SA', basis='adz', value=-101.7500)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ARG-163ASN-1', method='MP2C', mode='SA', basis='adz', value=-0.1320)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ASP-135ARG-1', method='MP2C', mode='SA', basis='adz', value=-109.2432)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ASP-193VAL-1', method='MP2C', mode='SA', basis='adz', value=-2.2437)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073GLU-077ASN-2', method='MP2C', mode='SA', basis='adz', value=0.5234)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073GLU-119SER-1', method='MP2C', mode='SA', basis='adz', value=-17.9384)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ILE-128ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.8493)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073LEU-120TRP-1', method='MP2C', mode='SA', basis='adz', value=-0.7776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073PHE-077TYR-1', method='MP2C', mode='SA', basis='adz', value=-2.4688)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073PHE-079LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.5906)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073SER-090SER-1', method='MP2C', mode='SA', basis='adz', value=-1.2257)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073SER-178SER-1', method='MP2C', mode='SA', basis='adz', value=0.0663)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073TRP-089TYR-1', method='MP2C', mode='SA', basis='adz', value=-2.8484)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073VAL-111ASP-1', method='MP2C', mode='SA', basis='adz', value=-0.9513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ALA-083TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.7110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-130TYR-2', method='MP2C', mode='SA', basis='adz', value=-1.0295)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-135SER-1', method='MP2C', mode='SA', basis='adz', value=-1.0941)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-135SER-2', method='MP2C', mode='SA', basis='adz', value=-11.8823)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-136GLN-1', method='MP2C', mode='SA', basis='adz', value=-2.3180)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-147TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.5636)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-147TYR-2', method='MP2C', mode='SA', basis='adz', value=-5.1837)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074GLN-094ASN-1', method='MP2C', mode='SA', basis='adz', value=-5.1242)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074GLU-096ARG-1', method='MP2C', mode='SA', basis='adz', value=-60.7219)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LEU-079TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.9775)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LEU-102PRO-1', method='MP2C', mode='SA', basis='adz', value=-1.1344)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LEU-107PHE-1', method='MP2C', mode='SA', basis='adz', value=-2.2228)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LYS-127ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.5343)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074PHE-080LEU-1', method='MP2C', mode='SA', basis='adz', value=-2.0353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074PHE-083HIE-1', method='MP2C', mode='SA', basis='adz', value=-1.5072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074SER-091PRO-1', method='MP2C', mode='SA', basis='adz', value=-0.3038)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074SER-111GLU-1', method='MP2C', mode='SA', basis='adz', value=-18.8879)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074VAL-080TRP-1', method='MP2C', mode='SA', basis='adz', value=-2.1934)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074VAL-083ASN-1', method='MP2C', mode='SA', basis='adz', value=-0.6800)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074VAL-190LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.2838)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075GLU-079GLN-1', method='MP2C', mode='SA', basis='adz', value=-12.0686)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075GLU-079GLU-2', method='MP2C', mode='SA', basis='adz', value=76.9652)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075ILE-080ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.5743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075ILE-112LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.3818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075LEU-094ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.4839)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075LEU-111LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.1561)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075LEU-111LEU-2', method='MP2C', mode='SA', basis='adz', value=-0.1509)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075PHE-093PRO-1', method='MP2C', mode='SA', basis='adz', value=-1.4618)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075PHE-182ASN-1', method='MP2C', mode='SA', basis='adz', value=-2.0157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075PHE-184PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.0937)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075SER-078TRP-1', method='MP2C', mode='SA', basis='adz', value=-1.3176)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075SER-111ASP-1', method='MP2C', mode='SA', basis='adz', value=-16.2025)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075TRP-176ARG-1', method='MP2C', mode='SA', basis='adz', value=-3.0066)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-079GLU-1', method='MP2C', mode='SA', basis='adz', value=-95.3457)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-120TRP-1', method='MP2C', mode='SA', basis='adz', value=-2.4656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-208TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.3521)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-208TYR-2', method='MP2C', mode='SA', basis='adz', value=-5.6022)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-084LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.7982)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-089TYR-1', method='MP2C', mode='SA', basis='adz', value=-24.4218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-091PRO-1', method='MP2C', mode='SA', basis='adz', value=-1.2276)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-188GLN-1', method='MP2C', mode='SA', basis='adz', value=-19.8469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076GLU-170LEU-1', method='MP2C', mode='SA', basis='adz', value=-2.6233)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ILE-094ASN-1', method='MP2C', mode='SA', basis='adz', value=-1.0983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076LEU-086MET-1', method='MP2C', mode='SA', basis='adz', value=0.0480)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076LEU-117ILE-2', method='MP2C', mode='SA', basis='adz', value=0.1592)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076LEU-123THR-1', method='MP2C', mode='SA', basis='adz', value=-0.3958)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076PRO-111TRP-1', method='MP2C', mode='SA', basis='adz', value=-0.7705)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076PRO-112LEU-1', method='MP2C', mode='SA', basis='adz', value=0.2230)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076SER-082PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.1952)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076THR-090SER-1', method='MP2C', mode='SA', basis='adz', value=-4.8257)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-125ILE-1', method='MP2C', mode='SA', basis='adz', value=-2.0997)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-125ILE-2', method='MP2C', mode='SA', basis='adz', value=-1.1696)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-136TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.7448)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-139ILE-1', method='MP2C', mode='SA', basis='adz', value=-1.8539)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-143TRP-1', method='MP2C', mode='SA', basis='adz', value=-4.7391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ALA-096ARG-1', method='MP2C', mode='SA', basis='adz', value=-0.6455)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ALA-138ARG-1', method='MP2C', mode='SA', basis='adz', value=-1.2416)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ALA-138ARG-2', method='MP2C', mode='SA', basis='adz', value=0.0855)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ASP-080ARG-2', method='MP2C', mode='SA', basis='adz', value=-84.4369)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077HIE-111LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.8005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-102PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.8063)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-112ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.5363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-125VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.9459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-128TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.8547)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-128TYR-2', method='MP2C', mode='SA', basis='adz', value=-1.3505)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077LEU-093VAL-2', method='MP2C', mode='SA', basis='adz', value=0.1192)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077LYS-178VAL-1', method='MP2C', mode='SA', basis='adz', value=-3.2877)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077LYS-186ASN-2', method='MP2C', mode='SA', basis='adz', value=-18.2548)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-089PHE-1', method='MP2C', mode='SA', basis='adz', value=-2.3494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-093ILE-1', method='MP2C', mode='SA', basis='adz', value=0.3545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-097LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.4279)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-116PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.5871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-160VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.5201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-162PRO-1', method='MP2C', mode='SA', basis='adz', value=-1.1346)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-201ARG-1', method='MP2C', mode='SA', basis='adz', value=-6.0936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-205GLU-1', method='MP2C', mode='SA', basis='adz', value=-8.4461)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078ALA-126VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.3960)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078ASP-157LYS-1', method='MP2C', mode='SA', basis='adz', value=-103.2213)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLN-085LYS-1', method='MP2C', mode='SA', basis='adz', value=-1.2822)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLN-088GLU-1', method='MP2C', mode='SA', basis='adz', value=-19.6177)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLU-099THR-1', method='MP2C', mode='SA', basis='adz', value=-2.9408)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLU-127GLN-2', method='MP2C', mode='SA', basis='adz', value=-22.1387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078HIE-081PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.5365)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078LEU-108VAL-1', method='MP2C', mode='SA', basis='adz', value=0.4998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-082VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.9367)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-096ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.7033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-104TRP-1', method='MP2C', mode='SA', basis='adz', value=-2.2347)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-107ALA-2', method='MP2C', mode='SA', basis='adz', value=-0.8237)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-108LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.8774)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-179LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.8863)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-215ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.8356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-218LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.6468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-218LEU-2', method='MP2C', mode='SA', basis='adz', value=0.4804)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PRO-115PRO-1', method='MP2C', mode='SA', basis='adz', value=-1.2491)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PRO-186ASN-1', method='MP2C', mode='SA', basis='adz', value=-3.1632)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078SER-184PHE-1', method='MP2C', mode='SA', basis='adz', value=-2.4571)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078TYR-082PHE-1', method='MP2C', mode='SA', basis='adz', value=-2.7138)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ARG-083ASP-1', method='MP2C', mode='SA', basis='adz', value=-96.9934)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ARG-182ASP-1', method='MP2C', mode='SA', basis='adz', value=-109.0629)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ASP-131HIE-1', method='MP2C', mode='SA', basis='adz', value=-26.3906)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ASP-135ILE-1', method='MP2C', mode='SA', basis='adz', value=-2.6302)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079PHE-089PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.2102)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079PHE-100THR-1', method='MP2C', mode='SA', basis='adz', value=-1.5038)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079PHE-104LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.2198)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079SER-088ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.5710)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079SER-208TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.2234)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079THR-089LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.8677)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079THR-089LEU-2', method='MP2C', mode='SA', basis='adz', value=-0.1624)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079THR-110THR-1', method='MP2C', mode='SA', basis='adz', value=-4.4621)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-084PRO-1', method='MP2C', mode='SA', basis='adz', value=-2.0905)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-109VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.6475)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-112LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.5955)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-112LEU-2', method='MP2C', mode='SA', basis='adz', value=-0.9809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-146PHE-1', method='MP2C', mode='SA', basis='adz', value=-2.2932)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-153TRP-1', method='MP2C', mode='SA', basis='adz', value=-1.5523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-167GLN-1', method='MP2C', mode='SA', basis='adz', value=2.0947)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079VAL-087LYS-1', method='MP2C', mode='SA', basis='adz', value=-0.1529)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079VAL-094ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.1892)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ARG-088PHE-1', method='MP2C', mode='SA', basis='adz', value=-4.0142)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ARG-090ASP-1', method='MP2C', mode='SA', basis='adz', value=-3.0456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ASP-087LYS-1', method='MP2C', mode='SA', basis='adz', value=-110.5654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080GLU-092ALA-1', method='MP2C', mode='SA', basis='adz', value=-2.9325)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080GLU-155ARG-1', method='MP2C', mode='SA', basis='adz', value=-117.2489)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ILE-112LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.4188)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080PHE-085LYS-1', method='MP2C', mode='SA', basis='adz', value=-1.8620)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080PHE-098SER-1', method='MP2C', mode='SA', basis='adz', value=-1.2184)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080PHE-166PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.7827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080THR-090ARG-1', method='MP2C', mode='SA', basis='adz', value=-1.9153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-088LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.1148)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-090TYR-1', method='MP2C', mode='SA', basis='adz', value=-2.8722)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-095ILE-1', method='MP2C', mode='SA', basis='adz', value=-1.7788)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-108LEU-1', method='MP2C', mode='SA', basis='adz', value=-2.2537)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-136ILE-1', method='MP2C', mode='SA', basis='adz', value=-1.3112)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TYR-129TRP-1', method='MP2C', mode='SA', basis='adz', value=-3.6360)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TYR-172GLU-1', method='MP2C', mode='SA', basis='adz', value=1.8764)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ALA-088ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.6717)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASN-084LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.4654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASN-085SER-1', method='MP2C', mode='SA', basis='adz', value=0.0504)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASN-100TRP-1', method='MP2C', mode='SA', basis='adz', value=-5.2771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASP-092SER-1', method='MP2C', mode='SA', basis='adz', value=-16.8860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLN-085ASP-1', method='MP2C', mode='SA', basis='adz', value=-21.5676)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLU-101ASN-1', method='MP2C', mode='SA', basis='adz', value=6.0170)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLU-103GLN-1', method='MP2C', mode='SA', basis='adz', value=-1.2215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLU-103GLN-2', method='MP2C', mode='SA', basis='adz', value=-13.0299)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081HIE-202PHE-1', method='MP2C', mode='SA', basis='adz', value=-2.6786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ILE-085ARG-1', method='MP2C', mode='SA', basis='adz', value=-2.4445)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081LYS-105VAL-1', method='MP2C', mode='SA', basis='adz', value=-2.9914)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-106CYS-1', method='MP2C', mode='SA', basis='adz', value=15.0391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-134GLU-1', method='MP2C', mode='SA', basis='adz', value=-1.2413)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-134GLU-2', method='MP2C', mode='SA', basis='adz', value=-8.1438)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-138ARG-1', method='MP2C', mode='SA', basis='adz', value=-4.3873)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081SER-087PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.1600)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081TYR-085ARG-1', method='MP2C', mode='SA', basis='adz', value=-1.6733)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081TYR-130VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.4371)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081VAL-105TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.7462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081VAL-149HIE-1', method='MP2C', mode='SA', basis='adz', value=-1.2185)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ARG-088PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.8271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ARG-088PHE-2', method='MP2C', mode='SA', basis='adz', value=-3.9478)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-121LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.4232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-135ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.6869)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-136PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.4027)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-186VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.7637)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082LEU-176PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.6261)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082PHE-091ILE-1', method='MP2C', mode='SA', basis='adz', value=1.5171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082PHE-102TYR-1', method='MP2C', mode='SA', basis='adz', value=-2.5874)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082PHE-104VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.8457)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-108LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.3029)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-126SER-1', method='MP2C', mode='SA', basis='adz', value=-0.3898)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-127PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.5483)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-130VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.5550)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ASP-089HIE-1', method='MP2C', mode='SA', basis='adz', value=-22.7318)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ASP-105TYR-1', method='MP2C', mode='SA', basis='adz', value=4.4043)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ASP-136ARG-1', method='MP2C', mode='SA', basis='adz', value=-92.8457)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083GLU-094TYR-1', method='MP2C', mode='SA', basis='adz', value=-7.0152)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083HIE-086GLU-1', method='MP2C', mode='SA', basis='adz', value=-24.6711)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083HIE-089ASP-1', method='MP2C', mode='SA', basis='adz', value=-24.2773)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ILE-155ARG-1', method='MP2C', mode='SA', basis='adz', value=-0.5891)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ILE-173LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.3610)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-087LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.0057)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-088TYR-2', method='MP2C', mode='SA', basis='adz', value=-1.4665)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-101GLN-1', method='MP2C', mode='SA', basis='adz', value=-0.7974)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-108VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.4216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083THR-086MET-1', method='MP2C', mode='SA', basis='adz', value=1.3570)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083THR-087GLN-1', method='MP2C', mode='SA', basis='adz', value=-1.1103)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083TYR-087PHE-1', method='MP2C', mode='SA', basis='adz', value=-2.6879)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083TYR-094TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.1116)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083TYR-096ASN-1', method='MP2C', mode='SA', basis='adz', value=-1.5088)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-087LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.6979)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-094PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.6087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-094PHE-2', method='MP2C', mode='SA', basis='adz', value=-0.5967)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-103TRP-1', method='MP2C', mode='SA', basis='adz', value=-1.3438)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-140TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.8700)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-153PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.0842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ARG-089ASP-1', method='MP2C', mode='SA', basis='adz', value=-86.7005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASN-099LYS-1', method='MP2C', mode='SA', basis='adz', value=-1.1362)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASN-103TRP-1', method='MP2C', mode='SA', basis='adz', value=-7.6393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASP-087PHE-1', method='MP2C', mode='SA', basis='adz', value=-4.2499)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASP-107ASN-1', method='MP2C', mode='SA', basis='adz', value=-13.2359)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASP-126VAL-1', method='MP2C', mode='SA', basis='adz', value=-2.1230)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084CYS-090LYS-1', method='MP2C', mode='SA', basis='adz', value=-10.5375)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084LEU-090LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.4996)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084PRO-122PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.0674)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084PRO-135PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.2646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084THR-107PRO-1', method='MP2C', mode='SA', basis='adz', value=-1.5407)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084THR-108TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.6311)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084TYR-089ASP-1', method='MP2C', mode='SA', basis='adz', value=0.8442)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084TYR-095LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.1143)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085ASN-099TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.2658)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085HIE-094TYR-1', method='MP2C', mode='SA', basis='adz', value=-2.2211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085HIE-101TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.6770)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085ILE-089ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.3191)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085ILE-103LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.1019)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-094PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.7937)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-108LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.3330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-137ASN-1', method='MP2C', mode='SA', basis='adz', value=-0.9514)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-138LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.5977)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LYS-088GLU-1', method='MP2C', mode='SA', basis='adz', value=-110.1871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LYS-094TYR-1', method='MP2C', mode='SA', basis='adz', value=-2.0064)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085MET-136PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.9461)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085PRO-090LYS-1', method='MP2C', mode='SA', basis='adz', value=-0.6119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085TRP-089ARG-1', method='MP2C', mode='SA', basis='adz', value=-2.5671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085TRP-135LYS-2', method='MP2C', mode='SA', basis='adz', value=-6.8205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ALA-101GLN-1', method='MP2C', mode='SA', basis='adz', value=-0.5024)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ALA-104TRP-1', method='MP2C', mode='SA', basis='adz', value=-0.7300)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ALA-136PHE-2', method='MP2C', mode='SA', basis='adz', value=-1.7708)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-091ILE-1', method='MP2C', mode='SA', basis='adz', value=-5.8530)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-092TRP-1', method='MP2C', mode='SA', basis='adz', value=-5.9698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-112TRP-1', method='MP2C', mode='SA', basis='adz', value=-10.7609)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-115ARG-1', method='MP2C', mode='SA', basis='adz', value=-110.4584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086HIE-089GLU-2', method='MP2C', mode='SA', basis='adz', value=15.4227)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086PRO-090ALA-1', method='MP2C', mode='SA', basis='adz', value=-1.2596)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086SER-136TRP-1', method='MP2C', mode='SA', basis='adz', value=-2.8979)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086VAL-105LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.6133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086VAL-116VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.5613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087ALA-171PRO-1', method='MP2C', mode='SA', basis='adz', value=0.2094)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087ALA-173TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.2138)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087ASN-091LYS-1', method='MP2C', mode='SA', basis='adz', value=4.7058)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087CYS-119ASP-1', method='MP2C', mode='SA', basis='adz', value=7.4789)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087CYS-121LEU-1', method='MP2C', mode='SA', basis='adz', value=0.0831)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087GLN-139ASN-1', method='MP2C', mode='SA', basis='adz', value=-5.9312)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-095PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.2003)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-095PHE-2', method='MP2C', mode='SA', basis='adz', value=-1.0878)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-096TRP-1', method='MP2C', mode='SA', basis='adz', value=-0.8664)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-109VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.3403)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-153PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.0369)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087PHE-126VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.5068)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087PHE-186VAL-1', method='MP2C', mode='SA', basis='adz', value=-1.2841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087PHE-188VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.9160)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087VAL-102LEU-1', method='MP2C', mode='SA', basis='adz', value=0.2219)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088ASN-092ASP-1', method='MP2C', mode='SA', basis='adz', value=-1.0349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088ILE-135LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.0794)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088ILE-135PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.3052)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088LEU-108ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.4902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088PHE-092LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.7600)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ARG-106ASP-1', method='MP2C', mode='SA', basis='adz', value=-91.1274)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ARG-108TYR-1', method='MP2C', mode='SA', basis='adz', value=-11.8294)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ARG-131VAL-1', method='MP2C', mode='SA', basis='adz', value=-2.0342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ASP-092PHE-1', method='MP2C', mode='SA', basis='adz', value=-4.8959)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ASP-112ASN-1', method='MP2C', mode='SA', basis='adz', value=-13.1137)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ASP-131VAL-1', method='MP2C', mode='SA', basis='adz', value=-2.2473)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089CYS-105LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.0230)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089GLN-117PHE-1', method='MP2C', mode='SA', basis='adz', value=-2.4990)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089GLN-125TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.3938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ILE-112TRP-1', method='MP2C', mode='SA', basis='adz', value=-1.5513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089LEU-127VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.8236)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089THR-098LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.4481)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089THR-098LEU-2', method='MP2C', mode='SA', basis='adz', value=-0.3838)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089TYR-094TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.3650)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089TYR-153VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.4386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ALA-121PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.2081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ARG-187SER-1', method='MP2C', mode='SA', basis='adz', value=-7.2743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090GLU-119ARG-1', method='MP2C', mode='SA', basis='adz', value=-100.3803)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ILE-099LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.4566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ILE-107SER-1', method='MP2C', mode='SA', basis='adz', value=-0.8909)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ILE-190VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.2036)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090LYS-122ASP-1', method='MP2C', mode='SA', basis='adz', value=-5.3590)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090LYS-122ASP-2', method='MP2C', mode='SA', basis='adz', value=-3.5309)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090PRO-129TRP-1', method='MP2C', mode='SA', basis='adz', value=-1.4973)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090PRO-154VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.2980)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-095ARG-1', method='MP2C', mode='SA', basis='adz', value=-8.0041)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-095ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.9813)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-099ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.7344)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-105LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.5537)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-112GLU-1', method='MP2C', mode='SA', basis='adz', value=7.0959)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-113ALA-1', method='MP2C', mode='SA', basis='adz', value=-2.0846)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091ASN-096TRP-1', method='MP2C', mode='SA', basis='adz', value=-6.3631)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-098SER-1', method='MP2C', mode='SA', basis='adz', value=-4.2137)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-118THR-1', method='MP2C', mode='SA', basis='adz', value=-0.3070)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-118THR-2', method='MP2C', mode='SA', basis='adz', value=-2.1825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-121LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.8375)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-122ASP-1', method='MP2C', mode='SA', basis='adz', value=12.1388)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-125HIE-1', method='MP2C', mode='SA', basis='adz', value=-0.8660)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-127VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.5260)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091LYS-140SER-1', method='MP2C', mode='SA', basis='adz', value=-0.6918)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091LYS-140SER-2', method='MP2C', mode='SA', basis='adz', value=-16.4484)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091THR-094HIE-2', method='MP2C', mode='SA', basis='adz', value=-5.5789)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091VAL-094ASP-1', method='MP2C', mode='SA', basis='adz', value=0.1216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092ALA-164GLU-1', method='MP2C', mode='SA', basis='adz', value=-0.5775)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092LEU-095HIE-1', method='MP2C', mode='SA', basis='adz', value=-1.3157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PHE-099TRP-1', method='MP2C', mode='SA', basis='adz', value=-2.9539)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PHE-120VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.4350)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PHE-131VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.8512)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PRO-102HIE-1', method='MP2C', mode='SA', basis='adz', value=-1.2403)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PRO-133LYS-1', method='MP2C', mode='SA', basis='adz', value=-0.8878)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092TRP-100GLN-1', method='MP2C', mode='SA', basis='adz', value=25.3067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092VAL-117PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.9430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ALA-099THR-1', method='MP2C', mode='SA', basis='adz', value=-0.6064)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ALA-164ASP-1', method='MP2C', mode='SA', basis='adz', value=-3.9509)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ASN-096LYS-1', method='MP2C', mode='SA', basis='adz', value=-1.2987)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ASP-097THR-1', method='MP2C', mode='SA', basis='adz', value=-20.3497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093HIE-118GLN-1', method='MP2C', mode='SA', basis='adz', value=-3.3785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093HIE-120ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.3281)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093PRO-184PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.2814)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094HIE-099THR-1', method='MP2C', mode='SA', basis='adz', value=-1.1575)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094HIE-104PHE-1', method='MP2C', mode='SA', basis='adz', value=-2.4249)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094ILE-114TRP-1', method='MP2C', mode='SA', basis='adz', value=-0.7530)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094LEU-132VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.6459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094LEU-182MET-1', method='MP2C', mode='SA', basis='adz', value=-0.6753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094LYS-112ASP-1', method='MP2C', mode='SA', basis='adz', value=-120.4803)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094PHE-098ILE-1', method='MP2C', mode='SA', basis='adz', value=0.6470)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094PHE-141ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.4723)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094PRO-135MET-1', method='MP2C', mode='SA', basis='adz', value=-0.7128)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094TYR-097THR-1', method='MP2C', mode='SA', basis='adz', value=0.0407)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094TYR-151VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.7294)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094TYR-153VAL-1', method='MP2C', mode='SA', basis='adz', value=-1.4730)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094VAL-125TRP-1', method='MP2C', mode='SA', basis='adz', value=-0.7234)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094VAL-152LEU-1', method='MP2C', mode='SA', basis='adz', value=0.1293)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094VAL-166PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.1086)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ASN-164ASP-1', method='MP2C', mode='SA', basis='adz', value=-22.0092)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ASP-102TYR-1', method='MP2C', mode='SA', basis='adz', value=5.7315)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095GLN-098TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.7745)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095GLN-185THR-1', method='MP2C', mode='SA', basis='adz', value=-0.7703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095GLN-187ASP-1', method='MP2C', mode='SA', basis='adz', value=-5.6578)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ILE-120TRP-1', method='MP2C', mode='SA', basis='adz', value=-1.4795)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ILE-120TRP-2', method='MP2C', mode='SA', basis='adz', value=-0.8372)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ILE-144THR-1', method='MP2C', mode='SA', basis='adz', value=-0.4425)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LEU-103ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.3513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LEU-130VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.5316)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LEU-133LYS-1', method='MP2C', mode='SA', basis='adz', value=-0.4772)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LYS-107ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.7245)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LYS-109THR-1', method='MP2C', mode='SA', basis='adz', value=-14.5509)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LYS-127ASP-1', method='MP2C', mode='SA', basis='adz', value=-5.6991)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-099LYS-2', method='MP2C', mode='SA', basis='adz', value=-2.3106)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-118ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.7139)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-154ILE-1', method='MP2C', mode='SA', basis='adz', value=-1.0832)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-160VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.8122)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-160VAL-2', method='MP2C', mode='SA', basis='adz', value=-0.3126)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095SER-114THR-1', method='MP2C', mode='SA', basis='adz', value=-0.8106)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095THR-182ASN-1', method='MP2C', mode='SA', basis='adz', value=1.9819)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095TRP-099LEU-2', method='MP2C', mode='SA', basis='adz', value=-1.3501)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095TRP-104VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.6657)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095TYR-106TYR-1', method='MP2C', mode='SA', basis='adz', value=-3.5501)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ASP-100ASN-1', method='MP2C', mode='SA', basis='adz', value=-19.5230)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ASP-101GLN-1', method='MP2C', mode='SA', basis='adz', value=-21.2705)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096GLU-121LYS-1', method='MP2C', mode='SA', basis='adz', value=-3.5001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-101GLN-1', method='MP2C', mode='SA', basis='adz', value=-3.9672)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-103SER-1', method='MP2C', mode='SA', basis='adz', value=-4.8864)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-126LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.4236)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-127ASP-1', method='MP2C', mode='SA', basis='adz', value=12.9054)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-132VAL-1', method='MP2C', mode='SA', basis='adz', value=-1.0674)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ILE-127VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.2144)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ILE-127VAL-2', method='MP2C', mode='SA', basis='adz', value=0.0730)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096TRP-110LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.9225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096VAL-105LEU-1', method='MP2C', mode='SA', basis='adz', value=0.4530)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096VAL-108THR-1', method='MP2C', mode='SA', basis='adz', value=-0.6101)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ALA-105LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.4667)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ALA-117HIE-1', method='MP2C', mode='SA', basis='adz', value=-0.8264)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ASN-102TYR-1', method='MP2C', mode='SA', basis='adz', value=-3.6349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097GLU-101ARG-1', method='MP2C', mode='SA', basis='adz', value=-101.7964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ILE-105THR-1', method='MP2C', mode='SA', basis='adz', value=-0.6898)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097LEU-111PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.9899)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097LEU-113ILE-1', method='MP2C', mode='SA', basis='adz', value=1.8970)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097LEU-128PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.8084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PHE-103ARG-1', method='MP2C', mode='SA', basis='adz', value=-1.8589)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PHE-181TRP-1', method='MP2C', mode='SA', basis='adz', value=-2.5877)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PHE-183ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.7978)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PRO-106ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.3336)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TRP-145LYS-1', method='MP2C', mode='SA', basis='adz', value=-1.3040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TRP-173TYR-1', method='MP2C', mode='SA', basis='adz', value=-2.8077)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TRP-213ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.8079)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TYR-101TRP-1', method='MP2C', mode='SA', basis='adz', value=-3.2116)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TYR-179LYS-1', method='MP2C', mode='SA', basis='adz', value=-2.1441)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TYR-179LYS-2', method='MP2C', mode='SA', basis='adz', value=-4.2027)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097VAL-112TRP-1', method='MP2C', mode='SA', basis='adz', value=-0.6841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098ILE-145ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.4865)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-101VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.8075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-115SER-1', method='MP2C', mode='SA', basis='adz', value=-0.8543)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-117ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.3796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-136PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.8254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-144VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.3303)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-144VAL-2', method='MP2C', mode='SA', basis='adz', value=-0.4192)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-146TRP-1', method='MP2C', mode='SA', basis='adz', value=-0.8097)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098PRO-101GLN-1', method='MP2C', mode='SA', basis='adz', value=-1.1544)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098PRO-102ALA-1', method='MP2C', mode='SA', basis='adz', value=0.2753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098PRO-114PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.5825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-112PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.8011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-127VAL-1', method='MP2C', mode='SA', basis='adz', value=0.4103)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-138TYR-2', method='MP2C', mode='SA', basis='adz', value=3.1750)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-164ASP-1', method='MP2C', mode='SA', basis='adz', value=-16.5978)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-101GLN-1', method='MP2C', mode='SA', basis='adz', value=-0.9844)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-105TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.5388)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-152ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.5124)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-286TRP-1', method='MP2C', mode='SA', basis='adz', value=-0.6807)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-287LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.2128)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-102HIE-1', method='MP2C', mode='SA', basis='adz', value=-1.8981)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-147VAL-1', method='MP2C', mode='SA', basis='adz', value=-1.5914)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-149ASN-1', method='MP2C', mode='SA', basis='adz', value=-1.0134)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-177ASP-1', method='MP2C', mode='SA', basis='adz', value=-102.4985)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-216GLU-1', method='MP2C', mode='SA', basis='adz', value=-86.5462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099GLN-108GLN-1', method='MP2C', mode='SA', basis='adz', value=-4.3190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099GLN-148HIE-1', method='MP2C', mode='SA', basis='adz', value=-2.8443)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ILE-103ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.2416)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099LYS-104THR-1', method='MP2C', mode='SA', basis='adz', value=-0.6189)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099MET-107ASN-1', method='MP2C', mode='SA', basis='adz', value=-0.6882)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099MET-126VAL-1', method='MP2C', mode='SA', basis='adz', value=0.5576)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099PRO-104TRP-1', method='MP2C', mode='SA', basis='adz', value=-1.4664)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099PRO-164PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.9768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099PRO-166GLU-1', method='MP2C', mode='SA', basis='adz', value=-2.5670)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099TRP-118PRO-1', method='MP2C', mode='SA', basis='adz', value=-1.1404)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099TRP-272GLU-1', method='MP2C', mode='SA', basis='adz', value=-23.5958)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ALA-112PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.4163)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ASN-113LYS-1', method='MP2C', mode='SA', basis='adz', value=-0.6682)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ILE-103HIE-1', method='MP2C', mode='SA', basis='adz', value=-0.6507)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ILE-104LYS-1', method='MP2C', mode='SA', basis='adz', value=-1.7056)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100LEU-130VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.5271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100LEU-134ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.1896)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100LEU-142LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.1247)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100SER-119GLU-1', method='MP2C', mode='SA', basis='adz', value=-18.8001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100SER-131VAL-2', method='MP2C', mode='SA', basis='adz', value=-0.8881)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100SER-148ASN-1', method='MP2C', mode='SA', basis='adz', value=2.6591)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100THR-104LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.4366)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100TRP-103LYS-1', method='MP2C', mode='SA', basis='adz', value=-11.3304)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100TRP-103LYS-2', method='MP2C', mode='SA', basis='adz', value=-1.1596)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100VAL-283ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.4791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ALA-104ARG-1', method='MP2C', mode='SA', basis='adz', value=0.0558)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ALA-128ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.5538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ALA-138TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.2236)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ARG-142LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.7136)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ASN-125HIE-1', method='MP2C', mode='SA', basis='adz', value=-2.8018)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ASP-145THR-2', method='MP2C', mode='SA', basis='adz', value=-17.5761)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ILE-110LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.6139)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ILE-110PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.3775)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ILE-123ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.5828)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101LEU-111TRP-1', method='MP2C', mode='SA', basis='adz', value=-1.0156)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101LEU-125TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.2970)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101LEU-132ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.4479)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TRP-132VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.7419)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TRP-135LYS-1', method='MP2C', mode='SA', basis='adz', value=-2.3925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TRP-177ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.7468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TYR-151VAL-1', method='MP2C', mode='SA', basis='adz', value=-1.1353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101VAL-106LYS-1', method='MP2C', mode='SA', basis='adz', value=-0.7491)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101VAL-132PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.1333)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101VAL-132PHE-2', method='MP2C', mode='SA', basis='adz', value=-1.0609)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ALA-114PHE-1', method='MP2C', mode='SA', basis='adz', value=0.1259)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ASP-106SER-1', method='MP2C', mode='SA', basis='adz', value=-2.2507)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-109TYR-1', method='MP2C', mode='SA', basis='adz', value=-3.3260)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-127GLU-1', method='MP2C', mode='SA', basis='adz', value=-0.5012)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-269HIE-1', method='MP2C', mode='SA', basis='adz', value=-4.6461)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-270TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.8706)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-272GLN-1', method='MP2C', mode='SA', basis='adz', value=-4.8995)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-110ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.3867)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-145ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.4801)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-149TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.0366)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-149TYR-2', method='MP2C', mode='SA', basis='adz', value=-1.6869)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-153PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.5696)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102SER-165LYS-1', method='MP2C', mode='SA', basis='adz', value=-7.5191)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102SER-169ASP-1', method='MP2C', mode='SA', basis='adz', value=-16.9836)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102VAL-133PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.7075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ASP-149TYR-1', method='MP2C', mode='SA', basis='adz', value=-21.5130)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ASP-269HIE-1', method='MP2C', mode='SA', basis='adz', value=-10.6541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLN-108PHE-1', method='MP2C', mode='SA', basis='adz', value=-3.1460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLU-106LYS-1', method='MP2C', mode='SA', basis='adz', value=-110.7274)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLU-108TRP-1', method='MP2C', mode='SA', basis='adz', value=-20.2336)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLU-177ASP-1', method='MP2C', mode='SA', basis='adz', value=83.0510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103HIE-168TYR-1', method='MP2C', mode='SA', basis='adz', value=-10.3227)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ILE-110VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.4634)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ILE-130VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.5046)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ILE-132PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.6343)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103PHE-122MET-1', method='MP2C', mode='SA', basis='adz', value=-1.2500)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103PHE-127LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.7385)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104ALA-125TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.0667)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104MET-112ASN-1', method='MP2C', mode='SA', basis='adz', value=-0.7066)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104MET-133PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.1244)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-107ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.5590)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-129ILE-1', method='MP2C', mode='SA', basis='adz', value=-2.0732)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-147LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.2879)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-166GLU-1', method='MP2C', mode='SA', basis='adz', value=-21.7314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-168LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.5024)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-169PRO-1', method='MP2C', mode='SA', basis='adz', value=-0.6399)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-202PHE-1', method='MP2C', mode='SA', basis='adz', value=-3.4785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-205GLU-1', method='MP2C', mode='SA', basis='adz', value=-0.8961)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104VAL-108ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.5175)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104VAL-112SER-1', method='MP2C', mode='SA', basis='adz', value=-0.4000)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104VAL-126ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.6169)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ALA-115GLN-1', method='MP2C', mode='SA', basis='adz', value=-0.3622)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ASN-139VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.8833)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ASN-146GLN-1', method='MP2C', mode='SA', basis='adz', value=1.2622)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ASN-154ASN-1', method='MP2C', mode='SA', basis='adz', value=6.1078)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ILE-128LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.0504)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ILE-131ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.3347)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ILE-135LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.5239)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105LEU-114TRP-1', method='MP2C', mode='SA', basis='adz', value=-1.7959)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105LEU-168ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.8597)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105LEU-175PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.2868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PHE-127LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.7762)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PHE-130ARG-1', method='MP2C', mode='SA', basis='adz', value=-4.7230)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PHE-130ARG-2', method='MP2C', mode='SA', basis='adz', value=-1.5583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PRO-128ILE-1', method='MP2C', mode='SA', basis='adz', value=0.4604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PRO-181TRP-1', method='MP2C', mode='SA', basis='adz', value=-7.6969)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105TYR-149HIE-1', method='MP2C', mode='SA', basis='adz', value=-3.1768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106ASN-130HIE-1', method='MP2C', mode='SA', basis='adz', value=1.7785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106ASP-133GLN-1', method='MP2C', mode='SA', basis='adz', value=5.5538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106GLU-129LYS-1', method='MP2C', mode='SA', basis='adz', value=-111.4476)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106ILE-168ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.1757)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106LEU-126LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.1360)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106LEU-149PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.3542)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106LEU-149PHE-2', method='MP2C', mode='SA', basis='adz', value=-1.7524)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106PHE-109PHE-1', method='MP2C', mode='SA', basis='adz', value=-2.1204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106PHE-178LYS-1', method='MP2C', mode='SA', basis='adz', value=-2.2265)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106SER-128PHE-1', method='MP2C', mode='SA', basis='adz', value=1.2733)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106TYR-112SER-1', method='MP2C', mode='SA', basis='adz', value=-0.8180)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106VAL-112LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.4600)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107ASP-125ASN-1', method='MP2C', mode='SA', basis='adz', value=-23.0010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107ILE-153TRP-1', method='MP2C', mode='SA', basis='adz', value=-0.7586)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107ILE-158MET-1', method='MP2C', mode='SA', basis='adz', value=-0.7464)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107THR-125ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.4960)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107THR-129LYS-1', method='MP2C', mode='SA', basis='adz', value=-17.5797)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107VAL-147PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.8020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107VAL-147PHE-2', method='MP2C', mode='SA', basis='adz', value=-0.7790)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108ILE-122VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.4912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108ILE-146GLN-1', method='MP2C', mode='SA', basis='adz', value=-0.0973)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108LYS-131ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.2644)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108LYS-160LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.0391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108PHE-125TRP-1', method='MP2C', mode='SA', basis='adz', value=-1.6655)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108PHE-127PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.5769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108PHE-150VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.7367)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108TRP-151ASN-1', method='MP2C', mode='SA', basis='adz', value=-1.5168)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108TRP-155VAL-1', method='MP2C', mode='SA', basis='adz', value=-1.4719)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109ARG-115GLU-1', method='MP2C', mode='SA', basis='adz', value=-111.1698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109GLN-161GLU-1', method='MP2C', mode='SA', basis='adz', value=-1.0157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109GLN-161GLU-2', method='MP2C', mode='SA', basis='adz', value=-11.9184)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-113ILE-1', method='MP2C', mode='SA', basis='adz', value=-1.8405)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-181ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.8063)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-182VAL-1', method='MP2C', mode='SA', basis='adz', value=-1.0087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-185VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.8237)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-228TYR-1', method='MP2C', mode='SA', basis='adz', value=-2.4337)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109SER-137ASN-1', method='MP2C', mode='SA', basis='adz', value=2.6314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109THR-131VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.9732)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109THR-158MET-1', method='MP2C', mode='SA', basis='adz', value=-0.4599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109VAL-164ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.1991)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ALA-161PRO-1', method='MP2C', mode='SA', basis='adz', value=-1.3859)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ALA-164ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.2931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110GLU-129LYS-1', method='MP2C', mode='SA', basis='adz', value=-112.9212)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-116PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.8813)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-149ARG-1', method='MP2C', mode='SA', basis='adz', value=-0.9338)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-151VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.8457)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-162VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.6943)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110LEU-125VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.2678)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110LEU-127ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.2210)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-123ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.0911)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-128PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.3872)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-222TYR-1', method='MP2C', mode='SA', basis='adz', value=-2.9292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-226LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.9705)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-226LEU-2', method='MP2C', mode='SA', basis='adz', value=-1.0560)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110THR-127GLN-2', method='MP2C', mode='SA', basis='adz', value=-5.0633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110THR-129TRP-1', method='MP2C', mode='SA', basis='adz', value=-5.0490)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111ASP-156SER-2', method='MP2C', mode='SA', basis='adz', value=9.3609)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111ASP-193HIE-1', method='MP2C', mode='SA', basis='adz', value=-9.6446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111HIE-218LEU-1', method='MP2C', mode='SA', basis='adz', value=-2.1033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-116ASN-1', method='MP2C', mode='SA', basis='adz', value=-0.5088)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-130TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.1291)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-158LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.3523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-169LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.3240)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111TRP-115GLN-1', method='MP2C', mode='SA', basis='adz', value=-3.5467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111VAL-125ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.4145)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ALA-128PRO-1', method='MP2C', mode='SA', basis='adz', value=-0.6631)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ALA-131VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.6519)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ARG-115ALA-1', method='MP2C', mode='SA', basis='adz', value=-1.4920)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ARG-125PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.8670)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ARG-127GLN-1', method='MP2C', mode='SA', basis='adz', value=-1.1656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ASP-183GLU-1', method='MP2C', mode='SA', basis='adz', value=85.3515)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ILE-125VAL-1', method='MP2C', mode='SA', basis='adz', value=0.0872)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ILE-142ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.7676)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112LEU-142PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.0541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112LYS-127LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.7902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112PHE-121LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.2583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112PHE-125HIE-1', method='MP2C', mode='SA', basis='adz', value=-1.2039)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TRP-119ARG-1', method='MP2C', mode='SA', basis='adz', value=-0.8533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TRP-119ARG-2', method='MP2C', mode='SA', basis='adz', value=-2.6799)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TRP-120VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.4018)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TYR-125GLU-1', method='MP2C', mode='SA', basis='adz', value=-1.9073)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TYR-128LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.8282)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TYR-190ARG-1', method='MP2C', mode='SA', basis='adz', value=-8.1646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-118ASP-1', method='MP2C', mode='SA', basis='adz', value=-2.6744)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-120VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.3810)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-122VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.1243)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-225TRP-1', method='MP2C', mode='SA', basis='adz', value=-0.8602)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ASP-195GLN-1', method='MP2C', mode='SA', basis='adz', value=-14.0902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-131VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.4121)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-164HIE-1', method='MP2C', mode='SA', basis='adz', value=-1.1032)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-185VAL-1', method='MP2C', mode='SA', basis='adz', value=0.2443)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-190ARG-2', method='MP2C', mode='SA', basis='adz', value=-1.6891)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-232ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.7260)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113LYS-117GLU-2', method='MP2C', mode='SA', basis='adz', value=-3.3838)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113LYS-170VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.4405)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113LYS-173GLU-1', method='MP2C', mode='SA', basis='adz', value=-121.9219)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113SER-120ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.1717)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-119PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.6095)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-124HIE-1', method='MP2C', mode='SA', basis='adz', value=-3.4505)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-126ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.8072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-171ASP-1', method='MP2C', mode='SA', basis='adz', value=-21.7015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-178ILE-1', method='MP2C', mode='SA', basis='adz', value=-2.0134)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TYR-124THR-1', method='MP2C', mode='SA', basis='adz', value=-1.0114)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113VAL-120HIE-2', method='MP2C', mode='SA', basis='adz', value=-1.6560)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113VAL-143PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.6358)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114ALA-160ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.3577)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114ASN-122ARG-2', method='MP2C', mode='SA', basis='adz', value=-0.5778)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114ASP-179LEU-1', method='MP2C', mode='SA', basis='adz', value=-4.1925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114GLU-144ASN-1', method='MP2C', mode='SA', basis='adz', value=-7.5068)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114GLU-146ARG-1', method='MP2C', mode='SA', basis='adz', value=-117.4845)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114LEU-118ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.3331)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114LYS-225TRP-1', method='MP2C', mode='SA', basis='adz', value=-1.8880)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114VAL-167GLU-1', method='MP2C', mode='SA', basis='adz', value=-2.7001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115ASN-124LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.8263)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115ASP-156ASP-1', method='MP2C', mode='SA', basis='adz', value=84.8024)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLN-118ARG-1', method='MP2C', mode='SA', basis='adz', value=-2.1283)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-123PRO-1', method='MP2C', mode='SA', basis='adz', value=-0.9442)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-123PRO-2', method='MP2C', mode='SA', basis='adz', value=-3.7998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-160GLU-1', method='MP2C', mode='SA', basis='adz', value=63.0768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-163TYR-2', method='MP2C', mode='SA', basis='adz', value=-3.9660)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115MET-168TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.6133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115PRO-129TYR-1', method='MP2C', mode='SA', basis='adz', value=-2.1480)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115THR-138VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.3372)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115THR-142GLU-1', method='MP2C', mode='SA', basis='adz', value=-18.3873)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115THR-142GLU-2', method='MP2C', mode='SA', basis='adz', value=-16.7422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115VAL-122MET-1', method='MP2C', mode='SA', basis='adz', value=-0.4525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115VAL-123PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.5530)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115VAL-130ARG-1', method='MP2C', mode='SA', basis='adz', value=-2.2258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116ALA-162PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.8411)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116LYS-144SER-1', method='MP2C', mode='SA', basis='adz', value=-8.5288)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116PHE-130VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.1796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116PHE-165VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.6958)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117HIE-123PRO-1', method='MP2C', mode='SA', basis='adz', value=-1.2392)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117ILE-142PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.9308)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PHE-125TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.8590)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PHE-130HIE-1', method='MP2C', mode='SA', basis='adz', value=-1.0970)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PRO-126ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.6459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PRO-129TYR-1', method='MP2C', mode='SA', basis='adz', value=1.4786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PRO-130LYS-1', method='MP2C', mode='SA', basis='adz', value=-0.1126)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117VAL-166ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.5140)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ALA-160VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.1017)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ARG-157ASN-1', method='MP2C', mode='SA', basis='adz', value=9.7695)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ARG-185ARG-1', method='MP2C', mode='SA', basis='adz', value=62.9426)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ASP-136HIE-1', method='MP2C', mode='SA', basis='adz', value=-25.3433)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118GLN-121PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.9797)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118GLU-173PHE-1', method='MP2C', mode='SA', basis='adz', value=-4.0449)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118GLU-176THR-1', method='MP2C', mode='SA', basis='adz', value=-0.5732)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-136VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.3559)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-165ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.1950)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-166TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.0143)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-178TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.9261)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118THR-121LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.7928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118VAL-162PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.4428)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119ALA-160LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.4270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119CYS-168HIE-1', method='MP2C', mode='SA', basis='adz', value=-3.2092)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119LEU-137ALA-1', method='MP2C', mode='SA', basis='adz', value=0.3433)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119LEU-137ALA-2', method='MP2C', mode='SA', basis='adz', value=-0.1096)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119LYS-186VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.5785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119MET-144SER-1', method='MP2C', mode='SA', basis='adz', value=-0.7096)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119PHE-124HIE-1', method='MP2C', mode='SA', basis='adz', value=-2.2400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119PHE-176THR-1', method='MP2C', mode='SA', basis='adz', value=-0.8784)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119SER-123ARG-1', method='MP2C', mode='SA', basis='adz', value=-2.3668)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119SER-140TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.3691)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119THR-123THR-1', method='MP2C', mode='SA', basis='adz', value=-0.7262)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119THR-123THR-2', method='MP2C', mode='SA', basis='adz', value=-0.1401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119TYR-174ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.8537)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120HIE-185ARG-1', method='MP2C', mode='SA', basis='adz', value=-0.5021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120ILE-123TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.3030)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-123ASN-1', method='MP2C', mode='SA', basis='adz', value=-0.2080)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-124ASP-1', method='MP2C', mode='SA', basis='adz', value=-2.5624)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-124LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.9852)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-135ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.5828)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-171TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.2153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-171TYR-2', method='MP2C', mode='SA', basis='adz', value=-1.4177)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LYS-138VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.4171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LYS-142ASP-1', method='MP2C', mode='SA', basis='adz', value=-98.2166)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120PRO-126ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.3017)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120SER-136HIE-1', method='MP2C', mode='SA', basis='adz', value=-0.9694)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120THR-143VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.1694)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120THR-147GLU-1', method='MP2C', mode='SA', basis='adz', value=-18.3728)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120TYR-141PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.1123)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120VAL-123ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.6658)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120VAL-154ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.5605)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120VAL-275LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.2883)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121ASN-132THR-1', method='MP2C', mode='SA', basis='adz', value=-0.8492)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121GLN-144ARG-1', method='MP2C', mode='SA', basis='adz', value=-20.8531)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121LEU-125HIE-1', method='MP2C', mode='SA', basis='adz', value=-0.4711)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121LEU-125HIE-2', method='MP2C', mode='SA', basis='adz', value=-0.4805)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121PHE-126VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.9928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121PHE-191LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.5776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121PHE-219TRP-1', method='MP2C', mode='SA', basis='adz', value=-1.4231)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121TYR-125LEU-2', method='MP2C', mode='SA', basis='adz', value=-1.8443)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121VAL-157ASP-1', method='MP2C', mode='SA', basis='adz', value=-0.6793)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122ASP-125LYS-1', method='MP2C', mode='SA', basis='adz', value=-3.2114)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122LEU-188VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.3519)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122MET-126GLU-1', method='MP2C', mode='SA', basis='adz', value=-7.5583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122VAL-125ILE-1', method='MP2C', mode='SA', basis='adz', value=-1.0569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122VAL-143VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.4686)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122VAL-152PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.4079)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123ALA-128VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.2990)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123ALA-158ILE-1', method='MP2C', mode='SA', basis='adz', value=2.4649)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123ARG-127GLN-1', method='MP2C', mode='SA', basis='adz', value=-2.2102)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123MET-140ASN-1', method='MP2C', mode='SA', basis='adz', value=-0.4138)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123SER-182ASN-1', method='MP2C', mode='SA', basis='adz', value=0.4573)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123THR-136SER-1', method='MP2C', mode='SA', basis='adz', value=-3.0990)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123TYR-154VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.8419)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123VAL-134LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.2436)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ALA-156THR-1', method='MP2C', mode='SA', basis='adz', value=-0.2860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ASP-131THR-1', method='MP2C', mode='SA', basis='adz', value=4.6605)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ASP-132THR-1', method='MP2C', mode='SA', basis='adz', value=-18.7065)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ASP-134ARG-1', method='MP2C', mode='SA', basis='adz', value=-110.8190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124GLN-200ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.6350)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124HIE-140GLU-1', method='MP2C', mode='SA', basis='adz', value=-24.1564)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124HIE-143VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.2769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124LEU-136HIE-2', method='MP2C', mode='SA', basis='adz', value=-1.2643)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124LEU-181VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.2225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125GLU-192PHE-1', method='MP2C', mode='SA', basis='adz', value=-5.0537)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125ILE-136TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.5647)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125LEU-129LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.0487)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125PHE-143VAL-1', method='MP2C', mode='SA', basis='adz', value=-1.0061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TRP-138SER-1', method='MP2C', mode='SA', basis='adz', value=-3.6360)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TRP-150VAL-1', method='MP2C', mode='SA', basis='adz', value=-1.0320)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TRP-152LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.7592)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TYR-164HIE-1', method='MP2C', mode='SA', basis='adz', value=-2.6087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ALA-140GLU-1', method='MP2C', mode='SA', basis='adz', value=-0.6540)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ASN-129ASN-1', method='MP2C', mode='SA', basis='adz', value=-1.5413)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126GLU-130ARG-1', method='MP2C', mode='SA', basis='adz', value=-102.9644)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ILE-136PRO-1', method='MP2C', mode='SA', basis='adz', value=-0.5732)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ILE-139PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.0877)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ILE-139PHE-2', method='MP2C', mode='SA', basis='adz', value=-2.3833)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126LEU-130HIE-2', method='MP2C', mode='SA', basis='adz', value=-0.9028)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126LEU-162PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.7558)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126LYS-158ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.4121)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126PHE-132HIE-1', method='MP2C', mode='SA', basis='adz', value=-1.3988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126PHE-171TYR-1', method='MP2C', mode='SA', basis='adz', value=-2.2750)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126PHE-176TYR-1', method='MP2C', mode='SA', basis='adz', value=-2.4314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126SER-171ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.5477)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126THR-197TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.0318)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127ALA-177ASP-1', method='MP2C', mode='SA', basis='adz', value=-1.7848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127GLU-146ARG-2', method='MP2C', mode='SA', basis='adz', value=-96.2515)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127GLU-269HIE-1', method='MP2C', mode='SA', basis='adz', value=-0.9367)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127GLU-269HIE-2', method='MP2C', mode='SA', basis='adz', value=13.7328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127LEU-210VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.2765)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127MET-131LYS-1', method='MP2C', mode='SA', basis='adz', value=-0.2139)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-132ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.9966)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-133SER-1', method='MP2C', mode='SA', basis='adz', value=-0.7860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-138SER-1', method='MP2C', mode='SA', basis='adz', value=-1.3329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-140HIE-1', method='MP2C', mode='SA', basis='adz', value=-3.1113)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-158VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.6964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-183TYR-1', method='MP2C', mode='SA', basis='adz', value=-2.0699)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-206ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.9297)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-237ASN-1', method='MP2C', mode='SA', basis='adz', value=-0.6482)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-239PHE-1', method='MP2C', mode='SA', basis='adz', value=-2.8169)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128ILE-131LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.4615)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128LYS-183TYR-1', method='MP2C', mode='SA', basis='adz', value=-2.0698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128PHE-235LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.5410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128PHE-252LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.3894)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128PRO-275LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.8833)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128TYR-158MET-1', method='MP2C', mode='SA', basis='adz', value=-2.7026)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128TYR-160LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.9683)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128VAL-160LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.6528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129ASN-132TYR-1', method='MP2C', mode='SA', basis='adz', value=-3.1605)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129ASP-140HIE-1', method='MP2C', mode='SA', basis='adz', value=-24.0791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129ASP-148TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.8806)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-155PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.7146)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-192PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.1839)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-195PRO-1', method='MP2C', mode='SA', basis='adz', value=0.1874)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-277TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.6685)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-277TYR-2', method='MP2C', mode='SA', basis='adz', value=-0.9253)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129PHE-133VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.7666)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129PHE-156ARG-1', method='MP2C', mode='SA', basis='adz', value=-6.9320)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129PHE-166PRO-1', method='MP2C', mode='SA', basis='adz', value=-1.7310)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129TYR-133ARG-1', method='MP2C', mode='SA', basis='adz', value=-7.6149)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129TYR-136TYR-2', method='MP2C', mode='SA', basis='adz', value=-2.9224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129VAL-159PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.9309)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129VAL-184PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.5002)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130ARG-170TYR-2', method='MP2C', mode='SA', basis='adz', value=-2.6197)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130ARG-244ILE-1', method='MP2C', mode='SA', basis='adz', value=-1.5812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130ARG-248GLU-1', method='MP2C', mode='SA', basis='adz', value=-75.8626)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130GLN-134GLU-1', method='MP2C', mode='SA', basis='adz', value=-16.5765)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130GLN-137ARG-1', method='MP2C', mode='SA', basis='adz', value=1.2449)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130PRO-135ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.8653)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130PRO-139ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.4430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130PRO-180PRO-1', method='MP2C', mode='SA', basis='adz', value=-0.8279)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130SER-149HIE-1', method='MP2C', mode='SA', basis='adz', value=-7.7206)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130SER-153TRP-1', method='MP2C', mode='SA', basis='adz', value=-5.2743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130VAL-139ILE-1', method='MP2C', mode='SA', basis='adz', value=0.6336)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130VAL-162VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.4211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130VAL-185PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.7918)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ALA-140HIE-1', method='MP2C', mode='SA', basis='adz', value=-0.4804)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ARG-134GLU-2', method='MP2C', mode='SA', basis='adz', value=-79.1389)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ASP-147PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.2421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ASP-182PHE-1', method='MP2C', mode='SA', basis='adz', value=-3.1958)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131LEU-136VAL-1', method='MP2C', mode='SA', basis='adz', value=0.1436)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131LEU-160MET-1', method='MP2C', mode='SA', basis='adz', value=-0.5411)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131PRO-219VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.3397)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131PRO-220GLU-1', method='MP2C', mode='SA', basis='adz', value=-3.8925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131THR-149LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.4093)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ARG-136ARG-1', method='MP2C', mode='SA', basis='adz', value=-2.0498)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ASP-156ARG-1', method='MP2C', mode='SA', basis='adz', value=-100.7641)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132HIE-135LYS-1', method='MP2C', mode='SA', basis='adz', value=-0.8362)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132HIE-147ASP-1', method='MP2C', mode='SA', basis='adz', value=-25.0765)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132HIE-149ASN-1', method='MP2C', mode='SA', basis='adz', value=-0.9277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ILE-135PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.7416)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ILE-138TRP-1', method='MP2C', mode='SA', basis='adz', value=0.4546)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ILE-146TRP-1', method='MP2C', mode='SA', basis='adz', value=-0.7252)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132LEU-198PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.7407)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-162VAL-1', method='MP2C', mode='SA', basis='adz', value=-1.2760)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-174SER-1', method='MP2C', mode='SA', basis='adz', value=-1.6477)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-176VAL-1', method='MP2C', mode='SA', basis='adz', value=-1.0768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-183GLN-1', method='MP2C', mode='SA', basis='adz', value=-1.6816)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132TYR-136PRO-1', method='MP2C', mode='SA', basis='adz', value=-1.6740)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133LYS-136ASP-1', method='MP2C', mode='SA', basis='adz', value=-101.9099)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133LYS-198PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.2179)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133PRO-151ASP-1', method='MP2C', mode='SA', basis='adz', value=-4.5406)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133SER-161GLU-1', method='MP2C', mode='SA', basis='adz', value=-16.4266)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133TRP-143MET-2', method='MP2C', mode='SA', basis='adz', value=-2.2197)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133TRP-148VAL-1', method='MP2C', mode='SA', basis='adz', value=1.1753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133TRP-277TYR-1', method='MP2C', mode='SA', basis='adz', value=1.8993)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133VAL-137ARG-1', method='MP2C', mode='SA', basis='adz', value=-2.4310)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133VAL-146TRP-1', method='MP2C', mode='SA', basis='adz', value=-1.7225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134GLU-138ARG-1', method='MP2C', mode='SA', basis='adz', value=-102.6941)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134ILE-147ASP-1', method='MP2C', mode='SA', basis='adz', value=-2.5254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134ILE-167LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.2115)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134LEU-205TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.3358)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135ARG-193VAL-1', method='MP2C', mode='SA', basis='adz', value=-1.7798)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135ILE-180PRO-1', method='MP2C', mode='SA', basis='adz', value=-0.6151)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LEU-139LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.9429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LEU-163LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.0931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LEU-179LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.1546)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LYS-157GLU-1', method='MP2C', mode='SA', basis='adz', value=-104.3103)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LYS-177ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.7520)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PHE-147TYR-1', method='MP2C', mode='SA', basis='adz', value=-2.5505)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PRO-140SER-1', method='MP2C', mode='SA', basis='adz', value=-0.5559)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PRO-144LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.6745)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PRO-155PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.2173)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135TRP-147GLN-1', method='MP2C', mode='SA', basis='adz', value=-5.4258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135TRP-208ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.8740)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136ARG-142ALA-1', method='MP2C', mode='SA', basis='adz', value=-1.9648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136ASP-198PHE-1', method='MP2C', mode='SA', basis='adz', value=-6.6042)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136ASP-201VAL-1', method='MP2C', mode='SA', basis='adz', value=-2.8740)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136CYS-143PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.7916)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136PHE-141ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.6084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136PHE-146TRP-1', method='MP2C', mode='SA', basis='adz', value=-1.5451)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136SER-144ARG-1', method='MP2C', mode='SA', basis='adz', value=-13.5905)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136TRP-155CYS-1', method='MP2C', mode='SA', basis='adz', value=-1.2037)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136TRP-165ASP-1', method='MP2C', mode='SA', basis='adz', value=-22.5387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136TRP-179MET-1', method='MP2C', mode='SA', basis='adz', value=-1.3029)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136VAL-169LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.5202)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137ARG-154TRP-1', method='MP2C', mode='SA', basis='adz', value=-2.1939)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137ARG-154TRP-2', method='MP2C', mode='SA', basis='adz', value=-6.3906)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137ARG-157GLU-1', method='MP2C', mode='SA', basis='adz', value=-99.7384)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137GLU-143MET-1', method='MP2C', mode='SA', basis='adz', value=-4.1935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137SER-156ARG-1', method='MP2C', mode='SA', basis='adz', value=-0.6365)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137TYR-166SER-1', method='MP2C', mode='SA', basis='adz', value=0.1196)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138ARG-142GLU-1', method='MP2C', mode='SA', basis='adz', value=-91.5740)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138ILE-156ARG-1', method='MP2C', mode='SA', basis='adz', value=-1.5989)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138LEU-149PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.9275)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138PHE-153PHE-1', method='MP2C', mode='SA', basis='adz', value=-2.4270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138SER-169VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.6018)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138TRP-146PHE-1', method='MP2C', mode='SA', basis='adz', value=-4.0431)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138TRP-243LEU-1', method='MP2C', mode='SA', basis='adz', value=0.1439)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138VAL-144ARG-1', method='MP2C', mode='SA', basis='adz', value=-1.1837)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139ASN-154SER-1', method='MP2C', mode='SA', basis='adz', value=-3.8710)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139GLU-144LYS-1', method='MP2C', mode='SA', basis='adz', value=-114.6427)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139ILE-143TRP-1', method='MP2C', mode='SA', basis='adz', value=-1.1475)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139LEU-204TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.1060)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139PRO-180PRO-1', method='MP2C', mode='SA', basis='adz', value=-1.1817)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139TYR-148SER-1', method='MP2C', mode='SA', basis='adz', value=-1.0190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140GLU-143VAL-1', method='MP2C', mode='SA', basis='adz', value=-3.4414)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140GLU-155THR-1', method='MP2C', mode='SA', basis='adz', value=-15.6922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140GLU-156ARG-1', method='MP2C', mode='SA', basis='adz', value=-116.9748)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140LEU-168LEU-1', method='MP2C', mode='SA', basis='adz', value=0.1110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141GLN-160PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.6820)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141LYS-144GLU-1', method='MP2C', mode='SA', basis='adz', value=-109.5526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141MET-155ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.2753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141PHE-152PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.9524)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141SER-144ASP-1', method='MP2C', mode='SA', basis='adz', value=-13.0455)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141SER-154ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.1591)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142GLN-154GLN-1', method='MP2C', mode='SA', basis='adz', value=-4.4183)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142ILE-155LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.2224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142ILE-155LEU-2', method='MP2C', mode='SA', basis='adz', value=-0.5481)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142ILE-185VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.6956)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142PHE-170ARG-1', method='MP2C', mode='SA', basis='adz', value=-0.6424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-147LYS-1', method='MP2C', mode='SA', basis='adz', value=-8.8518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-148TYR-1', method='MP2C', mode='SA', basis='adz', value=-3.4180)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-150VAL-1', method='MP2C', mode='SA', basis='adz', value=0.0703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-160PHE-1', method='MP2C', mode='SA', basis='adz', value=-3.4464)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-170ILE-1', method='MP2C', mode='SA', basis='adz', value=-1.8101)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-199THR-1', method='MP2C', mode='SA', basis='adz', value=-0.8161)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-203VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.7347)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143ARG-187ASP-1', method='MP2C', mode='SA', basis='adz', value=-114.0606)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143ARG-188LYS-1', method='MP2C', mode='SA', basis='adz', value=62.8644)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143GLN-147GLU-1', method='MP2C', mode='SA', basis='adz', value=-22.2780)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143ILE-146VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.2684)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143LEU-160ARG-1', method='MP2C', mode='SA', basis='adz', value=-1.8722)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143TRP-146LYS-1', method='MP2C', mode='SA', basis='adz', value=-4.7075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143TYR-150ILE-1', method='MP2C', mode='SA', basis='adz', value=-1.5947)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143VAL-147LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.5250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143VAL-152PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.7770)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144ARG-147GLU-2', method='MP2C', mode='SA', basis='adz', value=-91.6283)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144ASP-150SER-1', method='MP2C', mode='SA', basis='adz', value=-14.7940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144ILE-155THR-1', method='MP2C', mode='SA', basis='adz', value=-0.5910)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144LYS-161GLU-1', method='MP2C', mode='SA', basis='adz', value=-120.3291)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144PHE-153LYS-1', method='MP2C', mode='SA', basis='adz', value=-1.9081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144PHE-155ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.5010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='145GLN-149MET-2', method='MP2C', mode='SA', basis='adz', value=4.7726)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='145LEU-149PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.7678)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='145THR-149PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.2944)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146ARG-207GLU-1', method='MP2C', mode='SA', basis='adz', value=-116.6776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146GLU-158SER-1', method='MP2C', mode='SA', basis='adz', value=9.9563)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-149PHE-1', method='MP2C', mode='SA', basis='adz', value=-2.5812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-150LEU-2', method='MP2C', mode='SA', basis='adz', value=-1.5009)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-150VAL-1', method='MP2C', mode='SA', basis='adz', value=-1.2615)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-164TRP-1', method='MP2C', mode='SA', basis='adz', value=-1.0065)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-165PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.9330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-199LYS-2', method='MP2C', mode='SA', basis='adz', value=-1.4955)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146VAL-161VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.4601)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146VAL-161VAL-2', method='MP2C', mode='SA', basis='adz', value=-0.2856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146VAL-165HIE-1', method='MP2C', mode='SA', basis='adz', value=-1.3118)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147ASP-171TYR-1', method='MP2C', mode='SA', basis='adz', value=-23.9645)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147ASP-188LYS-1', method='MP2C', mode='SA', basis='adz', value=-109.9686)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147LYS-203VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.4395)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147PHE-159PHE-1', method='MP2C', mode='SA', basis='adz', value=-2.4459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147PHE-182PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.7290)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147VAL-175SER-1', method='MP2C', mode='SA', basis='adz', value=-0.5367)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148ALA-158LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.4716)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148HIE-152GLU-1', method='MP2C', mode='SA', basis='adz', value=-2.8913)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148ILE-202VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.3722)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148ILE-204ARG-1', method='MP2C', mode='SA', basis='adz', value=-2.0743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148PHE-164HIE-1', method='MP2C', mode='SA', basis='adz', value=-2.4770)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148PHE-165TYR-1', method='MP2C', mode='SA', basis='adz', value=-3.0925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148SER-163ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.5594)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148TYR-170ILE-1', method='MP2C', mode='SA', basis='adz', value=-1.0199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-167THR-1', method='MP2C', mode='SA', basis='adz', value=-0.3935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-171TYR-1', method='MP2C', mode='SA', basis='adz', value=-4.2738)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-175SER-1', method='MP2C', mode='SA', basis='adz', value=-1.5579)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-177ASP-1', method='MP2C', mode='SA', basis='adz', value=-5.8801)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149LEU-152GLN-1', method='MP2C', mode='SA', basis='adz', value=-0.2764)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-159ILE-1', method='MP2C', mode='SA', basis='adz', value=-1.5012)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-164PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.9612)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-165PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.5829)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-169VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.3151)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PRO-152GLN-1', method='MP2C', mode='SA', basis='adz', value=-2.7404)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PRO-152PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.6635)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149THR-157PRO-1', method='MP2C', mode='SA', basis='adz', value=-0.7222)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149TYR-153PHE-1', method='MP2C', mode='SA', basis='adz', value=-2.3494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150ARG-157ASP-1', method='MP2C', mode='SA', basis='adz', value=-111.3010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150ARG-208ILE-1', method='MP2C', mode='SA', basis='adz', value=-2.0032)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-153PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.6220)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-154TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.3245)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-159PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.0679)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-167LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.2856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-170HIE-1', method='MP2C', mode='SA', basis='adz', value=-0.8633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-202LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.5662)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-203GLU-1', method='MP2C', mode='SA', basis='adz', value=-2.2158)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LYS-158LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.3282)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='151ILE-159VAL-1', method='MP2C', mode='SA', basis='adz', value=0.3566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='151SER-159PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.5672)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='151THR-163THR-1', method='MP2C', mode='SA', basis='adz', value=6.3297)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152ASP-156LYS-1', method='MP2C', mode='SA', basis='adz', value=-4.7447)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152ASP-158LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.0579)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152CYS-197VAL-1', method='MP2C', mode='SA', basis='adz', value=0.9372)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152LYS-156ASP-2', method='MP2C', mode='SA', basis='adz', value=-114.0802)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152LYS-277TYR-1', method='MP2C', mode='SA', basis='adz', value=-2.2270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153ASP-156ARG-1', method='MP2C', mode='SA', basis='adz', value=-66.7116)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153ASP-200ARG-1', method='MP2C', mode='SA', basis='adz', value=-104.4985)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153LYS-203GLU-1', method='MP2C', mode='SA', basis='adz', value=-113.9489)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153PHE-163LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.0036)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153TRP-158MET-1', method='MP2C', mode='SA', basis='adz', value=-2.6065)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ARG-204ARG-1', method='MP2C', mode='SA', basis='adz', value=62.2956)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ARG-208TYR-1', method='MP2C', mode='SA', basis='adz', value=-9.9237)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ILE-159GLN-1', method='MP2C', mode='SA', basis='adz', value=-0.4250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ILE-160VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.3988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154LEU-191TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.9003)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154LYS-159ASN-1', method='MP2C', mode='SA', basis='adz', value=-0.2643)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154TYR-203GLU-1', method='MP2C', mode='SA', basis='adz', value=5.7734)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154TYR-207ASN-1', method='MP2C', mode='SA', basis='adz', value=1.0208)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PHE-197TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.4925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PHE-277TYR-1', method='MP2C', mode='SA', basis='adz', value=-2.7163)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PHE-284LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.6308)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PRO-170TRP-1', method='MP2C', mode='SA', basis='adz', value=-1.0436)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-171ASP-1', method='MP2C', mode='SA', basis='adz', value=-93.6230)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-172THR-1', method='MP2C', mode='SA', basis='adz', value=-13.7853)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-197GLU-1', method='MP2C', mode='SA', basis='adz', value=-112.4039)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-200TRP-1', method='MP2C', mode='SA', basis='adz', value=-2.3951)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-200TRP-2', method='MP2C', mode='SA', basis='adz', value=-12.0658)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156SER-191TYR-2', method='MP2C', mode='SA', basis='adz', value=-1.4396)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157ASP-202VAL-1', method='MP2C', mode='SA', basis='adz', value=-2.0481)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157ASP-204ARG-1', method='MP2C', mode='SA', basis='adz', value=-116.2801)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157ILE-160CYS-1', method='MP2C', mode='SA', basis='adz', value=-1.0665)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157MET-181ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.0580)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157MET-192ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.7209)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157PRO-161VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.7670)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157VAL-167PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.9695)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158ALA-193HIE-2', method='MP2C', mode='SA', basis='adz', value=-0.6158)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158ALA-284LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.1736)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158ILE-164LYS-2', method='MP2C', mode='SA', basis='adz', value=-0.5904)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158LEU-172THR-1', method='MP2C', mode='SA', basis='adz', value=-0.0081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158VAL-169VAL-1', method='MP2C', mode='SA', basis='adz', value=0.4009)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158VAL-205TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.9490)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ALA-197TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.3142)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159GLU-170LYS-1', method='MP2C', mode='SA', basis='adz', value=-3.9608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-172TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.3117)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-199LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.6698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-200TRP-1', method='MP2C', mode='SA', basis='adz', value=-1.2105)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-203PRO-1', method='MP2C', mode='SA', basis='adz', value=-0.2655)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PHE-206ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.6053)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PRO-164VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.3029)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PRO-178TYR-1', method='MP2C', mode='SA', basis='adz', value=-2.1784)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PRO-192ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.7912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159VAL-180LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.8964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160LEU-164TRP-1', method='MP2C', mode='SA', basis='adz', value=-0.2901)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160MET-169LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.8269)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160PHE-169VAL-1', method='MP2C', mode='SA', basis='adz', value=-1.3468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160PHE-203VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.7579)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161ARG-285ASP-1', method='MP2C', mode='SA', basis='adz', value=-85.4331)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161ARG-288ALA-1', method='MP2C', mode='SA', basis='adz', value=-1.8197)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161ARG-292GLU-1', method='MP2C', mode='SA', basis='adz', value=-117.4853)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161THR-194VAL-2', method='MP2C', mode='SA', basis='adz', value=0.0543)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161TYR-201ALA-1', method='MP2C', mode='SA', basis='adz', value=-1.9664)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161TYR-204ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.9481)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161VAL-170LYS-1', method='MP2C', mode='SA', basis='adz', value=-1.0808)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162ALA-174ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.5644)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162ALA-175TRP-1', method='MP2C', mode='SA', basis='adz', value=-1.9829)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-198PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.9535)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-201LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.1937)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-203VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.5636)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-208ILE-1', method='MP2C', mode='SA', basis='adz', value=0.3480)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-284LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.1877)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162PHE-168LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.6928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162PHE-207ASN-1', method='MP2C', mode='SA', basis='adz', value=-1.1513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162VAL-167CYS-1', method='MP2C', mode='SA', basis='adz', value=-0.6472)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162VAL-167TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.3021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162VAL-167TYR-2', method='MP2C', mode='SA', basis='adz', value=-0.9345)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ARG-201LEU-1', method='MP2C', mode='SA', basis='adz', value=-2.0127)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ASN-166ILE-1', method='MP2C', mode='SA', basis='adz', value=-1.3415)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ASN-196ARG-1', method='MP2C', mode='SA', basis='adz', value=-5.0469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ILE-166CYS-1', method='MP2C', mode='SA', basis='adz', value=-0.2996)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163LEU-171ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.4245)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163LEU-175LEU-1', method='MP2C', mode='SA', basis='adz', value=0.1161)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-174ILE-1', method='MP2C', mode='SA', basis='adz', value=-1.9050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-178TYR-1', method='MP2C', mode='SA', basis='adz', value=-2.1741)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-180LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.8216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-180LEU-2', method='MP2C', mode='SA', basis='adz', value=-0.9964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-183LYS-1', method='MP2C', mode='SA', basis='adz', value=-6.0557)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-184VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.8863)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-187GLU-1', method='MP2C', mode='SA', basis='adz', value=4.9550)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='164VAL-171ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.7231)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='164VAL-225LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.4179)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165ALA-292GLU-1', method='MP2C', mode='SA', basis='adz', value=-2.0358)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165GLN-224MET-2', method='MP2C', mode='SA', basis='adz', value=-1.5020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165LYS-169ASP-1', method='MP2C', mode='SA', basis='adz', value=-111.0256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165PHE-169VAL-1', method='MP2C', mode='SA', basis='adz', value=-1.2039)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-168ASP-1', method='MP2C', mode='SA', basis='adz', value=3.8023)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-171VAL-1', method='MP2C', mode='SA', basis='adz', value=-1.2477)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-208ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.6928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-208ILE-2', method='MP2C', mode='SA', basis='adz', value=-1.1653)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165VAL-177ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.4094)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='166ILE-187ARG-1', method='MP2C', mode='SA', basis='adz', value=-0.3397)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='166PRO-171VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.3988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='166PRO-172VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.1255)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='167GLU-187ARG-1', method='MP2C', mode='SA', basis='adz', value=-115.0201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='167PHE-170TRP-1', method='MP2C', mode='SA', basis='adz', value=-2.4272)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='167PRO-170VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.8772)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168HIE-180GLU-1', method='MP2C', mode='SA', basis='adz', value=-23.8423)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168ILE-178VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.2368)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168LEU-172ASP-1', method='MP2C', mode='SA', basis='adz', value=-2.2375)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168LEU-211ARG-1', method='MP2C', mode='SA', basis='adz', value=-1.6690)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168TYR-203ILE-1', method='MP2C', mode='SA', basis='adz', value=-1.0254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168TYR-224MET-1', method='MP2C', mode='SA', basis='adz', value=-0.2577)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169ASP-172SER-2', method='MP2C', mode='SA', basis='adz', value=-17.2336)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169LEU-181TRP-1', method='MP2C', mode='SA', basis='adz', value=-1.2155)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169LYS-172ILE-2', method='MP2C', mode='SA', basis='adz', value=-2.5920)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169LYS-291ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.2063)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169MET-184VAL-1', method='MP2C', mode='SA', basis='adz', value=0.1343)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170ALA-175TRP-1', method='MP2C', mode='SA', basis='adz', value=-1.0488)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170HIE-174LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.0324)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170LEU-178LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.8574)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170LEU-186TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.0273)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170THR-180GLU-1', method='MP2C', mode='SA', basis='adz', value=-0.3265)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171ASP-176THR-1', method='MP2C', mode='SA', basis='adz', value=-15.8040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171THR-180SER-1', method='MP2C', mode='SA', basis='adz', value=-4.7401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171TYR-180PRO-1', method='MP2C', mode='SA', basis='adz', value=2.6768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171TYR-231VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.8878)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='172ASP-204TYR-1', method='MP2C', mode='SA', basis='adz', value=-24.6165)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='172ILE-235VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.4420)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='172TYR-193VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.6421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173ARG-234ASP-1', method='MP2C', mode='SA', basis='adz', value=-114.5246)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173ARG-296LYS-1', method='MP2C', mode='SA', basis='adz', value=58.7915)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173CYS-269HIE-1', method='MP2C', mode='SA', basis='adz', value=-0.5583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173CYS-270TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.8041)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173LEU-190VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.4418)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173PHE-176THR-1', method='MP2C', mode='SA', basis='adz', value=-0.7566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173TYR-211PRO-1', method='MP2C', mode='SA', basis='adz', value=-0.9552)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173TYR-213ILE-1', method='MP2C', mode='SA', basis='adz', value=-1.7986)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173TYR-245ILE-1', method='MP2C', mode='SA', basis='adz', value=-1.0976)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174ASN-178LYS-1', method='MP2C', mode='SA', basis='adz', value=-23.6427)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174MET-177ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.9819)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174THR-205LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.1193)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-203VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.6785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-205PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.4094)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-270TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.0176)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-273GLU-1', method='MP2C', mode='SA', basis='adz', value=-0.5592)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-273GLU-2', method='MP2C', mode='SA', basis='adz', value=-0.7208)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='175LEU-233ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.1721)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='175VAL-268LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.8090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='175VAL-274ASP-1', method='MP2C', mode='SA', basis='adz', value=-6.4806)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ALA-195LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.5400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ARG-182GLU-1', method='MP2C', mode='SA', basis='adz', value=-112.5086)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ARG-273GLU-1', method='MP2C', mode='SA', basis='adz', value=-75.7132)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ILE-198PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.9627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ILE-201ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.3561)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ILE-205LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.1132)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-204TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.3816)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-208ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.5007)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-208ALA-2', method='MP2C', mode='SA', basis='adz', value=-0.3735)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-214PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.3758)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176THR-180LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.5854)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='177ASP-216GLU-1', method='MP2C', mode='SA', basis='adz', value=70.8065)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='177GLN-190VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.9197)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='178SER-239ASP-1', method='MP2C', mode='SA', basis='adz', value=-17.3386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179ALA-225TRP-1', method='MP2C', mode='SA', basis='adz', value=-0.5060)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179ALA-238MET-1', method='MP2C', mode='SA', basis='adz', value=-0.6012)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179ALA-250ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.6562)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179LEU-239PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.5543)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179TYR-216GLU-1', method='MP2C', mode='SA', basis='adz', value=4.9236)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179TYR-250PHE-1', method='MP2C', mode='SA', basis='adz', value=-3.2686)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179TYR-258TRP-1', method='MP2C', mode='SA', basis='adz', value=-3.8819)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180ASN-219SER-1', method='MP2C', mode='SA', basis='adz', value=-3.9768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180ASN-229TRP-1', method='MP2C', mode='SA', basis='adz', value=-3.1071)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180GLU-187ARG-1', method='MP2C', mode='SA', basis='adz', value=-99.9556)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180GLU-189ARG-2', method='MP2C', mode='SA', basis='adz', value=-103.6109)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180GLU-194ARG-1', method='MP2C', mode='SA', basis='adz', value=-113.4174)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-184VAL-1', method='MP2C', mode='SA', basis='adz', value=-1.1743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-209TYR-1', method='MP2C', mode='SA', basis='adz', value=-10.2412)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-214PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.3209)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-224ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.6001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181ILE-228TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.9375)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181THR-195SER-1', method='MP2C', mode='SA', basis='adz', value=-4.3868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181TRP-185GLN-1', method='MP2C', mode='SA', basis='adz', value=-1.6034)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181TRP-189SER-1', method='MP2C', mode='SA', basis='adz', value=-0.6887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181TRP-258TRP-1', method='MP2C', mode='SA', basis='adz', value=-2.5410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ASP-186ASN-1', method='MP2C', mode='SA', basis='adz', value=-10.5459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ILE-192ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.5176)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ILE-239PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.8269)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ILE-242LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.3581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182PRO-186LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.1831)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182PRO-186LEU-2', method='MP2C', mode='SA', basis='adz', value=-0.8821)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182PRO-189ARG-1', method='MP2C', mode='SA', basis='adz', value=-2.5325)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-190LYS-1', method='MP2C', mode='SA', basis='adz', value=-1.1679)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-194ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.6822)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-205LEU-1', method='MP2C', mode='SA', basis='adz', value=0.5718)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-209TYR-1', method='MP2C', mode='SA', basis='adz', value=2.4384)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183TYR-186LYS-1', method='MP2C', mode='SA', basis='adz', value=-14.3911)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184ASP-187ARG-1', method='MP2C', mode='SA', basis='adz', value=-86.7566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-205THR-1', method='MP2C', mode='SA', basis='adz', value=-1.4629)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-209LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.2268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-225TRP-1', method='MP2C', mode='SA', basis='adz', value=-2.0641)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-228VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.9403)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-238MET-1', method='MP2C', mode='SA', basis='adz', value=-1.4626)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-255TRP-1', method='MP2C', mode='SA', basis='adz', value=-1.4444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184THR-220ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.3124)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184VAL-225GLU-1', method='MP2C', mode='SA', basis='adz', value=-1.3883)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185PHE-190LYS-1', method='MP2C', mode='SA', basis='adz', value=-1.8344)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185TYR-220PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.8716)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185VAL-224ILE-1', method='MP2C', mode='SA', basis='adz', value=0.1005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185VAL-228TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.0968)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186CYS-192PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.5676)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186GLU-189LYS-1', method='MP2C', mode='SA', basis='adz', value=-107.7829)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186LYS-191VAL-1', method='MP2C', mode='SA', basis='adz', value=-1.4094)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186LYS-191VAL-2', method='MP2C', mode='SA', basis='adz', value=-1.1632)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186TYR-273GLU-1', method='MP2C', mode='SA', basis='adz', value=5.4662)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186VAL-208PRO-1', method='MP2C', mode='SA', basis='adz', value=-0.9691)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186VAL-223LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.3565)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='187LYS-193THR-1', method='MP2C', mode='SA', basis='adz', value=-0.3565)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='187LYS-193THR-2', method='MP2C', mode='SA', basis='adz', value=-1.5001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='188LYS-225GLU-1', method='MP2C', mode='SA', basis='adz', value=-4.7987)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189THR-199LYS-1', method='MP2C', mode='SA', basis='adz', value=0.6745)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189THR-205PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.0184)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189THR-207GLU-1', method='MP2C', mode='SA', basis='adz', value=-13.9916)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189TYR-232ALA-1', method='MP2C', mode='SA', basis='adz', value=-1.2013)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='190ARG-235LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.8927)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='190LYS-193GLU-1', method='MP2C', mode='SA', basis='adz', value=-107.3359)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='190PHE-199LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.0289)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='191LEU-219TRP-2', method='MP2C', mode='SA', basis='adz', value=-2.0576)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='191TRP-229TRP-1', method='MP2C', mode='SA', basis='adz', value=-0.9811)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='192GLN-197VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.4766)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='192ILE-242LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.3650)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='192SER-269ARG-1', method='MP2C', mode='SA', basis='adz', value=-9.1712)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='193HIE-248MET-1', method='MP2C', mode='SA', basis='adz', value=-0.6437)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='193HIE-301MET-1', method='MP2C', mode='SA', basis='adz', value=-1.4151)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194ASP-269ARG-1', method='MP2C', mode='SA', basis='adz', value=-117.3038)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194ILE-205LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.4807)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-198PHE-1', method='MP2C', mode='SA', basis='adz', value=-2.4724)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-201LYS-1', method='MP2C', mode='SA', basis='adz', value=-1.4326)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-217PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.4791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-233ALA-1', method='MP2C', mode='SA', basis='adz', value=-1.4942)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-237ILE-1', method='MP2C', mode='SA', basis='adz', value=-1.2704)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-241TYR-1', method='MP2C', mode='SA', basis='adz', value=-2.4998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195ASP-241TYR-1', method='MP2C', mode='SA', basis='adz', value=6.8641)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195LEU-205PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.7199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195LEU-237ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.2070)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195LEU-269ARG-1', method='MP2C', mode='SA', basis='adz', value=-2.9207)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195PRO-198PHE-1', method='MP2C', mode='SA', basis='adz', value=-2.4399)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-218GLU-1', method='MP2C', mode='SA', basis='adz', value=11.2979)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-221MET-1', method='MP2C', mode='SA', basis='adz', value=-0.5284)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-249ILE-1', method='MP2C', mode='SA', basis='adz', value=-1.5064)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-249ILE-2', method='MP2C', mode='SA', basis='adz', value=-1.0835)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='197TYR-201LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.5181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='197TYR-252PRO-1', method='MP2C', mode='SA', basis='adz', value=-1.5036)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='197TYR-284LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.5766)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198ASN-201LYS-1', method='MP2C', mode='SA', basis='adz', value=-1.3812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-205PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.1508)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-217PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.7936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-284LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.8104)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-287LEU-1', method='MP2C', mode='SA', basis='adz', value=-1.3722)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='199LYS-207GLU-1', method='MP2C', mode='SA', basis='adz', value=-107.2791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='200TRP-204ASN-1', method='MP2C', mode='SA', basis='adz', value=-2.7170)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='201LEU-284LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.5096)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='201SER-209ASN-1', method='MP2C', mode='SA', basis='adz', value=-1.6959)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='202TYR-212ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.5098)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='202TYR-241TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.5011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='203VAL-291ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.5641)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205LEU-212ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.6808)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205MET-223ASP-2', method='MP2C', mode='SA', basis='adz', value=-5.4608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205MET-224MET-1', method='MP2C', mode='SA', basis='adz', value=-1.3777)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205THR-209LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.5652)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='206ASP-210TYR-1', method='MP2C', mode='SA', basis='adz', value=-26.3375)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='206VAL-231TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.0392)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='207PRO-216VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.2033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='208ALA-214PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.9877)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='209TYR-214PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.9386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='210GLU-213LYS-1', method='MP2C', mode='SA', basis='adz', value=-108.1387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='210TYR-216ASP-1', method='MP2C', mode='SA', basis='adz', value=-1.4386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='210TYR-286TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.6817)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='211ASP-214LYS-1', method='MP2C', mode='SA', basis='adz', value=-113.1087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='211PRO-245ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.5987)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='212ALA-221GLU-1', method='MP2C', mode='SA', basis='adz', value=-2.0894)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='212ILE-243LYS-1', method='MP2C', mode='SA', basis='adz', value=-1.5500)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='212PRO-215ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.7583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='214ILE-217PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.3559)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='215ALA-282PHE-1', method='MP2C', mode='SA', basis='adz', value=-0.4575)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='217PHE-234TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.9088)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='217PHE-247ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.8247)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='217PHE-249TRP-1', method='MP2C', mode='SA', basis='adz', value=-2.2606)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='218ALA-249TRP-1', method='MP2C', mode='SA', basis='adz', value=-2.1500)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='218ALA-258TRP-1', method='MP2C', mode='SA', basis='adz', value=-1.2774)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219SER-229TRP-1', method='MP2C', mode='SA', basis='adz', value=-2.1028)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-222TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.2129)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-222TYR-2', method='MP2C', mode='SA', basis='adz', value=-1.4211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-272ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.6603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-286TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.9406)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-288LEU-1', method='MP2C', mode='SA', basis='adz', value=0.1370)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='220ALA-256THR-1', method='MP2C', mode='SA', basis='adz', value=-0.5964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='220ALA-286TYR-1', method='MP2C', mode='SA', basis='adz', value=-1.7946)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-226LYS-1', method='MP2C', mode='SA', basis='adz', value=-3.8795)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-230LYS-1', method='MP2C', mode='SA', basis='adz', value=-110.4070)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-231TYR-1', method='MP2C', mode='SA', basis='adz', value=8.2735)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-262SER-1', method='MP2C', mode='SA', basis='adz', value=-16.7937)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-263SER-1', method='MP2C', mode='SA', basis='adz', value=-17.3608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-265GLU-1', method='MP2C', mode='SA', basis='adz', value=81.1024)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='222ALA-249ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.3848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223ASP-286TYR-1', method='MP2C', mode='SA', basis='adz', value=5.6258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223ASP-288LEU-1', method='MP2C', mode='SA', basis='adz', value=-3.2631)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223ASP-289SER-1', method='MP2C', mode='SA', basis='adz', value=-17.9454)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223LEU-227ASN-1', method='MP2C', mode='SA', basis='adz', value=1.6643)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='224MET-229PHE-1', method='MP2C', mode='SA', basis='adz', value=-2.2324)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='224MET-229PHE-2', method='MP2C', mode='SA', basis='adz', value=-1.1972)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='225ASN-228ARG-1', method='MP2C', mode='SA', basis='adz', value=-1.4093)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='225TRP-228VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.8083)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='225TRP-252GLU-1', method='MP2C', mode='SA', basis='adz', value=-1.9362)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-233LYS-1', method='MP2C', mode='SA', basis='adz', value=-2.0097)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-247VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.8646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-294TYR-1', method='MP2C', mode='SA', basis='adz', value=-2.1410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-294TYR-2', method='MP2C', mode='SA', basis='adz', value=-1.2759)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LYS-262SER-1', method='MP2C', mode='SA', basis='adz', value=-16.5933)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='227HIE-255SER-1', method='MP2C', mode='SA', basis='adz', value=0.9433)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='227HIE-256LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.9757)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='227HIE-289SER-1', method='MP2C', mode='SA', basis='adz', value=-1.5777)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='228ARG-232GLU-2', method='MP2C', mode='SA', basis='adz', value=-91.2784)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='228VAL-254THR-1', method='MP2C', mode='SA', basis='adz', value=0.0090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='232PRO-290LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.3537)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234ASN-237ASN-1', method='MP2C', mode='SA', basis='adz', value=-0.2103)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-260LYS-1', method='MP2C', mode='SA', basis='adz', value=-0.6735)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-262VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.2725)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-286TRP-1', method='MP2C', mode='SA', basis='adz', value=-1.7045)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-286TRP-2', method='MP2C', mode='SA', basis='adz', value=-2.2120)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='235VAL-294ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.4463)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236ILE-258LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.2360)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236ILE-260ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.6511)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236PHE-262VAL-1', method='MP2C', mode='SA', basis='adz', value=-1.6029)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236PHE-279ILE-2', method='MP2C', mode='SA', basis='adz', value=-1.6363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236PHE-282GLU-1', method='MP2C', mode='SA', basis='adz', value=-0.8471)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237ILE-267ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.1813)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237ILE-269ARG-1', method='MP2C', mode='SA', basis='adz', value=-1.1553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237TRP-246PRO-1', method='MP2C', mode='SA', basis='adz', value=-1.6398)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237TRP-249ALA-1', method='MP2C', mode='SA', basis='adz', value=-1.3432)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237TRP-263ASP-1', method='MP2C', mode='SA', basis='adz', value=-1.2407)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='238MET-247PRO-1', method='MP2C', mode='SA', basis='adz', value=-0.7109)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='238MET-255TRP-1', method='MP2C', mode='SA', basis='adz', value=-1.9081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='239ASP-244THR-1', method='MP2C', mode='SA', basis='adz', value=-3.2823)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='239ASP-271PRO-1', method='MP2C', mode='SA', basis='adz', value=-11.6532)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='240ASP-270SER-1', method='MP2C', mode='SA', basis='adz', value=-16.5368)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='240PRO-268LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.4795)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='241ARG-272GLU-1', method='MP2C', mode='SA', basis='adz', value=-90.7875)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='243LEU-269HIE-1', method='MP2C', mode='SA', basis='adz', value=-1.2088)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='244SER-294TYR-1', method='MP2C', mode='SA', basis='adz', value=-0.0543)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='245ILE-250ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.5605)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='245PRO-248GLU-1', method='MP2C', mode='SA', basis='adz', value=-1.8869)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='248MET-298ARG-1', method='MP2C', mode='SA', basis='adz', value=-0.6215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-269MET-1', method='MP2C', mode='SA', basis='adz', value=-0.4821)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-276ILE-1', method='MP2C', mode='SA', basis='adz', value=-0.1928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-297PHE-1', method='MP2C', mode='SA', basis='adz', value=-1.2520)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-300LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.5400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='250ILE-255TRP-1', method='MP2C', mode='SA', basis='adz', value=-1.6842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='250ILE-255TRP-2', method='MP2C', mode='SA', basis='adz', value=-1.7815)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='251LEU-269MET-1', method='MP2C', mode='SA', basis='adz', value=-0.9933)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='252PRO-258ALA-1', method='MP2C', mode='SA', basis='adz', value=-0.2019)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='253ALA-261THR-1', method='MP2C', mode='SA', basis='adz', value=1.2575)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='253ALA-302SER-1', method='MP2C', mode='SA', basis='adz', value=-0.6484)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='255TRP-261VAL-1', method='MP2C', mode='SA', basis='adz', value=-1.4834)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='258LEU-261VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.3764)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='261VAL-266VAL-1', method='MP2C', mode='SA', basis='adz', value=-0.0528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='264ILE-271LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.4971)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='270SER-283LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.6346)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='273PRO-283LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.8793)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='274ILE-279LYS-1', method='MP2C', mode='SA', basis='adz', value=-0.5391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='275ASN-278LEU-1', method='MP2C', mode='SA', basis='adz', value=-0.6662)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-005ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-61.3271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-013ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=63.9951)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-015GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-79.9228)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-159VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3905)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ASN-026VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4573)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ASN-030MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=1.6459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ASN-097GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-16.0181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001HIE-099GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4326)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LEU-071LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5759)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LEU-154LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LEU-190THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3679)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LYS-027ASN-2', method='MP2C', mode='dfhf_SA', basis='adz', value=26.6526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LYS-027THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4748)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LYS-027THR-2', method='MP2C', mode='dfhf_SA', basis='adz', value=1.9245)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-005GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.0798)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-027VAL-2', method='MP2C', mode='dfhf_SA', basis='adz', value=3.6771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-031VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=3.1215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-047GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.4887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001PRO-046ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.8275)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001SER-030GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.9789)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ALA-101ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6689)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ARG-006GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-89.4933)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ARG-020PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7807)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ARG-046LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0065)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ASN-022GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-20.5725)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ASN-026ASP-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-7.6914)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ASP-145HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-6.4046)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-005GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-006GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7188)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-153PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3971)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-163LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3761)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-006GLU-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7565)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-007ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-035GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-109.1147)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-075ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-22.1514)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-080ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7070)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-082TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-8.2120)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002MET-031TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6843)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002MET-050ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7891)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002TRP-012VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002TRP-138SER-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-5.2554)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002TRP-139LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4318)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-009TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3920)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-042PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8160)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-042PHE-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3635)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-043HIE-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.9754)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-046SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.0297)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ALA-007THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6070)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003GLU-006GLN-2', method='MP2C', mode='dfhf_SA', basis='adz', value=4.9063)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ILE-062ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.1678)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ILE-065SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.7385)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ILE-067TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2728)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003LEU-033LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4284)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003LEU-054LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4800)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003LYS-055LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2350)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003PRO-025ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003SER-096ASN-2', method='MP2C', mode='dfhf_SA', basis='adz', value=0.7013)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003THR-181VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9074)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003THR-182GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.1339)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TRP-163PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.6996)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TRP-167GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TRP-167GLN-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0060)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-028VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-028VAL-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3665)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-030GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.3386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-054VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9154)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-056ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-073CYS-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.6694)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-074SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3823)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-096HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.3917)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-009TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-012GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.4063)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-036PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0470)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-064TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8163)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-081THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-083PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4709)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-118ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5109)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-121TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9507)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-024THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-14.9071)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-057ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7950)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-057ILE-2', method='MP2C', mode='dfhf_SA', basis='adz', value=0.5988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-095TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3800)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-095TYR-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-5.7157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ASN-009TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.1780)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ASP-043THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-15.4411)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ASP-194ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-101.3339)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004GLN-007ASN-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.8700)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004GLN-056GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-6.6422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004GLU-039THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-15.3776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-010TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6519)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-031TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0815)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-032HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9269)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-040GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.5271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-179LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4678)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-180LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.0728)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-180LEU-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7522)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-183LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3781)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LYS-030ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.8271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LYS-031ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LYS-323PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0683)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-116VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9017)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-135LEU-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6506)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-158LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6083)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-160PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6187)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-007LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8252)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-009TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.8892)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-026TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.1009)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-029PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.9668)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-068VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3457)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-074ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9105)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-094LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-096TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0663)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004SER-027VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004SER-030MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-078LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-132LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-12.6851)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-163LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2103)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-164GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-14.9600)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TRP-014ARG-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3514)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TRP-016LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.1829)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TYR-075PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0233)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TYR-105LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1692)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004VAL-053LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.4529)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ALA-019PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3437)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ARG-012GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-105.7459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ARG-071GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-94.6599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ARG-158LEU-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7377)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ASP-103GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-11.9016)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ASP-128ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-99.5881)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ILE-054SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9642)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ILE-234TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6465)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ILE-277LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.0555)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-010TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8411)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-011PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0600)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-015LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-023GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6837)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-025ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3389)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-025LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4539)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-030ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0102)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-030LEU-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-032MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5477)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-037ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4575)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-068ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5284)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-077LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-083HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0701)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-106TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5914)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-191TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9036)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-022VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4828)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-031TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1461)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-037PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-043TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.9966)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-049LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8520)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-050TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.6931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-155SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-162GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5691)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-163LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PRO-196ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9765)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005SER-028VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4175)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005TYR-166TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.8062)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005TYR-168VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4995)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-008GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.2413)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-023LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2323)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-035PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.0841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-037ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1318)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-039SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.2095)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ALA-078GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ARG-090TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.4591)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ASP-010THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=6.4583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ASP-116VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3336)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006GLU-010TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.3760)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-108PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5843)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-126VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4621)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-319TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3778)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-323PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7865)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-018ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-6.2546)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-039THR-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-050VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4830)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-053LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-061PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.5118)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-163LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5071)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006THR-097VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4423)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006TRP-026TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1811)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006TRP-038VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006TRP-040LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-020VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6185)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-023MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4032)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-024ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5457)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-026LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-038ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.0097)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-053LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5228)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-055GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7259)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-175PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.5124)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ALA-011ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8434)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ALA-021PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8129)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ALA-049VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1260)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ARG-011GLU-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-101.3853)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ARG-062TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8850)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ARG-063PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.3181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASN-109GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-18.2972)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASP-011GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=7.4116)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASP-119SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-5.3712)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASP-131ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-109.0076)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007GLU-033LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.2535)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007GLU-033LYS-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-99.2788)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-015LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7117)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-030LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1751)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-030LEU-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2843)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-038TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5322)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-042LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.0880)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-097VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4773)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-017ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5364)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-026VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.5339)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-033LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4096)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-090TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1587)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-096TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9516)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-168HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4294)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LYS-011ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-111.7968)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LYS-093SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6437)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LYS-099THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3869)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-019VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5405)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-021PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.5002)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-021PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2637)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-022VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-024VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.2433)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-035PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0978)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-084LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-091ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-111PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8700)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-157ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3729)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-160CYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6576)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007SER-010ARG-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-7.5973)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007SER-100ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.7907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007THR-031LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.0316)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007TYR-053TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.8225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-022SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6529)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-026GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2906)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-034ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3547)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-038VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5626)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-040THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2375)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-154GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4368)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-154GLN-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7946)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-191TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8715)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-248MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2880)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ALA-034ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.0925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ALA-035GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.2540)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ALA-038MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3879)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ARG-115SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-14.3349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASN-030LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-23.5455)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASP-018ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.4107)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASP-018ARG-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-109.8046)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASP-058ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2573)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-012HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5505)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-015TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8843)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-032MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4346)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-033PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9853)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-034LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.0692)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-035TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0239)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-041TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9512)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-058PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0542)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-062TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1118)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LEU-017ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3711)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LEU-088TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9982)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-043THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-13.9722)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-065VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-068GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.6542)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-068GLU-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-104.8660)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008MET-158LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.0256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-042LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7436)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-044ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-097VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6509)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-099HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0478)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-101HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.3790)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PRO-183ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-12.7160)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008SER-032SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.6174)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008SER-093TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TRP-035PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.0853)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TRP-250PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.7707)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TRP-252GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-19.8076)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TYR-052TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-039TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7590)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-041VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-066LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.0939)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-072SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.0005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-080PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8116)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ALA-084LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ALA-091ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.0111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-023GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-94.8319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-031TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-10.8639)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-092LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0611)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-103GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=5.5395)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-106ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-88.2513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-128ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.2637)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-128ARG-2', method='MP2C', mode='dfhf_SA', basis='adz', value=60.0767)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ASN-024ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=10.1378)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ASP-021LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.3663)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009GLN-068ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7989)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009GLN-072ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7789)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-013TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7175)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-038LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1853)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-052PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5411)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-092LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-092LEU-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4313)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-105LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4910)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-108PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7115)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-155ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3068)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-013VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5367)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-033LEU-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-039ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4350)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-041VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5650)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-041VAL-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2512)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-055SER-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-058ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LYS-137LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.3044)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LYS-171VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6850)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009PRO-069TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8136)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TRP-111ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-10.3517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-016GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=5.0376)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-029THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8720)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-033ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.1104)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-035SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8961)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-050PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.0567)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-053TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.3148)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-111ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-21.8967)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-121TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.4314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-158ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.4156)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-301MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-303TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.1334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-021PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6770)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-025ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2659)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-035ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4782)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-084ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-086TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1381)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ARG-039ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-99.5252)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ARG-042ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-89.5696)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ARG-092LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8014)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASN-014GLN-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-5.1510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASN-023GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-22.0422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASN-088TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.1996)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASP-090TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-23.6892)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLN-022MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6712)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLN-102TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=1.0478)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLU-014LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-67.3157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLU-032SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=11.5014)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010HIE-015TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4418)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010HIE-023ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8219)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010LEU-091ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5676)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010LEU-096TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7388)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010LEU-132ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7520)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010PHE-028ILE-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-022LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0650)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-025VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0784)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-032ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-032PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.5704)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-034VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-052TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0596)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-058PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6471)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-081VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.2049)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-081VAL-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.2454)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-017GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=4.1179)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-049PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0587)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-052TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.6797)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-163TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1440)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-027ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-028LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-034TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7234)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-040PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5377)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-044ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1552)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ALA-016GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6880)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ASP-091ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-17.2089)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011CYS-042VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011CYS-042VAL-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6373)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011GLU-062TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=3.6383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011GLU-100THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-8.2728)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011HIE-015ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=2.5530)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011HIE-304SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=2.7263)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011HIE-306ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.1908)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-017LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1690)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-018ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-024ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4500)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-024ILE-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2503)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-028LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.0351)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-037LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.1241)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-038TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8396)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-042LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4272)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-045VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-062HIE-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5875)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-069TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-071GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8405)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-102TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5537)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-102TYR-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3564)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011PHE-044TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011PRO-020ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.0783)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011SER-223GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-17.6424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011THR-017ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2588)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011THR-166GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.0167)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011THR-166GLU-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-15.7022)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-018ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-7.3589)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-023ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-7.3034)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-051GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-10.1886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-102GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.4227)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-169ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0918)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-144PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9600)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-153LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2950)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-153LYS-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5291)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-155ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.0562)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-055PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4041)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-059PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-108PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-139ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5027)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASN-048PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASP-024LYS-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-76.9154)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASP-026TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-7.0909)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASP-069TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=4.1712)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLN-034GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-6.0526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLN-044TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0261)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLN-048TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4080)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-017GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7946)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-019THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-16.0562)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-068HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=13.0717)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-070TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-5.0268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012HIE-015ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2347)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012HIE-033LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5725)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-016THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4939)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-018LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2974)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-028LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.0410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-044ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6814)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-046LYS-2', method='MP2C', mode='dfhf_SA', basis='adz', value=0.2477)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-046VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2570)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-024VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3780)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-027PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-033LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.0386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-035TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-039ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5078)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-047ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2649)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-057LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2735)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-062HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5589)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-064LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6169)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-065LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-070MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-074VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.0846)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-083ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9447)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-085ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-088TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3447)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-026PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.5752)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-040PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3921)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-116PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1196)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-163ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-166CYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9322)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012SER-138SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.4345)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012SER-166PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3750)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012TYR-087PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.7058)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-016LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1227)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-023LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1874)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-088PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9105)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-114PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8828)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-146PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8185)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ALA-096TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.2053)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ASN-149ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-6.6919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ASP-016GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=63.3116)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ASP-023ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-115.9531)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-039ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-90.3690)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-052ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4540)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-056GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-21.0138)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-065LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.0992)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-069ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-113.7717)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013HIE-032ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3049)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013HIE-095HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.1249)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013HIE-121TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-9.6511)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ILE-017LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6322)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ILE-105ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2904)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-017ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.1335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-063ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4565)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-065PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4478)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-066ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2506)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-069LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5903)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-077LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.0609)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-082VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-084ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-036VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6578)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-060TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0826)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-062LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-063PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-083ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8159)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-085ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5892)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PRO-032VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.2185)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PRO-034GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3382)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PRO-129THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8114)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013SER-047TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0203)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013THR-164GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.7708)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013TYR-075LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6634)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013TYR-075LEU-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3740)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-016PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3777)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-066LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6337)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-154ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8617)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-154ASN-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9188)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ALA-055LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ARG-083THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=3.3220)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASN-027ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8449)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASN-061LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-23.6853)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASN-137TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.8577)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASP-017ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-80.3647)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLN-093VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.0901)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLU-036LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-119.7902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLU-069ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.4264)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLU-164TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-25.0753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014HIE-043TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1376)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-025TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-027ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1808)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-081PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9217)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-085ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1306)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-088MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-061GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2389)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-070TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-163ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4672)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-174PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LYS-023GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-122.5232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014SER-017GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-14.6325)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014SER-084GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.0349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-019GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.0465)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-021PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4440)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-022LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-022LYS-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6242)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-082PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.5336)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014VAL-091ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3207)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ARG-020ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-98.5757)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ARG-164ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2926)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-019THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.4210)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-048GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-6.3221)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-069ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.6012)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-149PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015CYS-057LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9673)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015GLU-019LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-104.7372)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-019PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3272)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-023LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-030LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7138)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-034LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-035ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4476)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-136HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.0247)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-035TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7631)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-038LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3737)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-080PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4909)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-084TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9670)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-102SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.8351)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-047TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1884)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-047TYR-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-12.6790)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-220ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-106.2345)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-223GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.0680)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015MET-023LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7524)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015MET-023LEU-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7448)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015PHE-039ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6973)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015PHE-044LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3229)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015SER-018THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.2006)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015SER-037LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2941)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-019ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4192)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-021MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6665)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-060HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-8.0998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-061GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.9046)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015TRP-025THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9878)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015TRP-096TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.4874)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015TYR-034ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5755)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015VAL-060TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6076)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ARG-047PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.1508)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLN-048ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3155)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLN-098LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1161)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLN-101GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.9141)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLU-035TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.3474)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ILE-021VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0013)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ILE-145LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ILE-219PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6238)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-036LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.0566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-046ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1102)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-062LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.0866)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-065LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-072PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.1008)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-082SER-2', method='MP2C', mode='dfhf_SA', basis='adz', value=0.8135)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-137ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4641)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-141MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6762)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LYS-085GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-105.1295)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-034VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5577)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-036VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-132ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7600)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-176PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.2516)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-192LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.8289)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016SER-031ASN-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.4734)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016THR-022MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9991)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016TYR-079ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3307)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-033THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1364)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-055PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6829)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-059PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2535)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-084ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2571)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ARG-056HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-8.3783)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASN-021LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-17.6430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASN-029ASN-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-6.0031)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASP-049ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-76.6506)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASP-060HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-7.5238)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLN-024ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-7.4059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLN-093VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.8161)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLN-094ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-24.0401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLU-036TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.0588)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLU-072PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.5367)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017HIE-033ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-19.7438)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017HIE-035TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-5.6872)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-021LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8144)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-028LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5739)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-028LEU-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1932)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-030PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6638)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-055HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.3815)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-149PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.1613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-050ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2565)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-056PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3859)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-066LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.5987)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-083ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5695)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017MET-020LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0941)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-022SER-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.7708)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-025TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-077ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-7.0231)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-081PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.1900)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-084LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2609)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017THR-078GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-13.4996)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017THR-307TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4447)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017VAL-049LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5285)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ALA-023VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1602)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ALA-026GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.7151)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ALA-027VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1821)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ARG-057THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ASN-227ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8094)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ASP-032THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-18.3930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ASP-034ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.6781)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018CYS-132HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.7337)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018GLU-074ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-022GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1293)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-052VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3492)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-055ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1322)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-055PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9248)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018LEU-039ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=2.1494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018LYS-024TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.1769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-060HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-085GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3116)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-086VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9915)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-139LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6375)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018SER-024LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018SER-040GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-16.5082)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018THR-035ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1614)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018VAL-034ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018VAL-164TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3014)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018VAL-166ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6632)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ALA-055HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2837)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ALA-058TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1921)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ARG-027ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=60.5584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ASN-053VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7380)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019GLN-026GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6320)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019GLU-022LYS-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7946)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019GLU-025THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-15.6987)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ILE-051VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-037ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4872)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-041VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6592)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-061ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4374)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-062LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6686)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-062LEU-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8304)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LYS-027VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4636)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LYS-031HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3070)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LYS-071GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-115.1930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019PHE-049LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6275)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019SER-023ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.3787)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019SER-023ARG-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-5.6320)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019SER-026ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-13.5230)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019THR-022MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8788)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019THR-035GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019THR-035GLU-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.5321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019TYR-050TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.1895)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-027ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4959)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-058VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.0746)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-075LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2389)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-081LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3484)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-137ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.0173)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-138VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.1526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-138VAL-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2914)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ASN-039LYS-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-24.5336)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ASN-040LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-23.2018)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ASP-082LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-78.9120)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020GLN-036TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.3938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020GLN-059ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5443)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020HIE-062ASP-2', method='MP2C', mode='dfhf_SA', basis='adz', value=10.9483)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020HIE-068LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0508)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-023VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-032THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-082ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2875)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-309ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1999)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LEU-024VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6406)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LEU-038ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LEU-042VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=1.5069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LYS-040GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-120.3845)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PHE-135PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PHE-149LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9726)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-023ARG-2', method='MP2C', mode='dfhf_SA', basis='adz', value=1.2077)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-177PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-178LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-181ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.2907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020SER-058VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.4230)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020SER-091ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3032)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020VAL-029TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ALA-039TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5399)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ALA-057VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0691)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ALA-100ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6558)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ARG-033THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2991)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ARG-035GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.0759)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ARG-035GLU-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-90.4020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021GLN-024LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-21.8343)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021GLN-024LYS-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0399)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021GLN-057TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7174)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021HIE-061PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.8083)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-031HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2434)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-036VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5331)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-038VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0004)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-041PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2997)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-077LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.1819)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-088ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6079)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021LYS-032TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-11.1948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021LYS-039ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6082)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021MET-058TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.4837)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021MET-062GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021MET-069ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9790)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-025GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.8241)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-038VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-054ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6945)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-060PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7162)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-072PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.5601)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-072THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-076VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9876)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-079ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8192)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-082PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.4084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-097LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.0502)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-097LEU-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5179)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-113ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.3108)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-131VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7672)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-251HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6135)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-260ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9343)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021SER-142ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5529)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021THR-148GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.1690)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021THR-150LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021TYR-088PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.2059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ARG-072GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-104.7056)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ARG-073GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-87.1463)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-028GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=2.6377)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-046MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.4203)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-055ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=9.8212)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-058GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.4006)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-147TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.5419)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ILE-072HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ILE-074ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=2.1217)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-057THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6917)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-058PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-062ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6188)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-065LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-081LYS-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LYS-086ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5174)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022MET-041VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5914)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-027ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9114)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-031ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2854)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-039TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-040ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2924)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-041PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6185)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-064VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8601)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-069VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0894)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-069VAL-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-099ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7966)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-166ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-168TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.4377)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022SER-121LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5455)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-026THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5324)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-039TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.9141)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-040TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.2487)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-043ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6707)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-055LEU-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7953)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-059VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9006)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022VAL-067LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3405)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022VAL-079TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5332)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022VAL-079TYR-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8575)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ASP-027ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-104.7545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ASP-042ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-118.7078)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ASP-057ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-113.7382)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLN-177PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5733)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLN-217THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-5.5718)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLU-028LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.9175)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLU-046LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-108.7296)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ILE-060PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-035PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7752)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-035PHE-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-036ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-055ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-097LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5070)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-029GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-79.5178)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-029GLU-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.9949)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-064TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-7.4814)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-064TYR-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2045)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023MET-038ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7147)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023SER-051ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=2.8665)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023THR-085ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1313)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023TYR-026LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4759)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023TYR-031TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.0868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023VAL-041ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.0027)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023VAL-055LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5729)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ALA-034ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ARG-073ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-15.8689)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ARG-076GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-107.6483)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-027ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-23.8340)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-027LEU-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0207)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-029ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5156)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-034TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.6470)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-056PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5836)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-058TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.0252)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASP-065HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-25.7435)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024CYS-100ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.2645)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-040HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-24.5537)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-041LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7989)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-050ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.9794)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-054ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-103.7158)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ILE-055TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7549)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-028GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4437)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-028GLU-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.2525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-029GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.8988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-031LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9174)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-032VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-054VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4560)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-260ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0146)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-261ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LYS-057TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LYS-069TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7479)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LYS-069TYR-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-9.0936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-089LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.2570)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-089THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-099TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.9647)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-100SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5025)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-130LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2169)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024SER-038THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=4.6031)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024THR-041GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.4556)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-032HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0655)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-049ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-054PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6624)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-079PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.9363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-142VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2242)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-143GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ALA-035TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7188)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ALA-037ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4729)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ASN-181ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-6.8864)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ASN-183THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-5.3949)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-029LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-036THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=1.3365)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-039TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.5897)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-260ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5203)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-274ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8576)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-028VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3570)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-036VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-056LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1741)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-059ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-084ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.4614)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-084ILE-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-090ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3626)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-091VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3025)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-055VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2774)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-060PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6487)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-075ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6178)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-075ILE-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025SER-035ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.0459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025SER-075ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=4.5330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025SER-100ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0128)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025THR-045THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.9895)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025THR-100TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1244)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025THR-103LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-16.4696)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-038MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5788)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-135ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0053)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-144LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-146PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.9570)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-152GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-21.5080)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TYR-080ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6044)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TYR-081PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7417)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TYR-084LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-029TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7419)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-057VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-069ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5457)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-083GLU-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3369)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-185ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5618)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASN-054ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-6.6497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASN-055ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9443)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASN-058GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-15.2468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASP-042PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASP-077PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.2551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLN-065HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6817)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLN-065HIE-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7552)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLU-042HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=14.5553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLU-057TYR-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-23.1769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLU-059ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-97.5222)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ILE-037TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9892)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ILE-078ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2327)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-037PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4716)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-039ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5168)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-040GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.8056)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-041VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9261)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-135ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5234)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-029PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.3220)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-099ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5431)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-103HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.7551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-168TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2548)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-030TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.8319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-036PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-118ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9100)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-217THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.7433)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026THR-031LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2824)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026TYR-062ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7861)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026TYR-069TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.3509)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026VAL-041GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.8988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026VAL-041GLU-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.9386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ALA-074LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6789)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ALA-102ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1144)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ARG-049GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-95.4659)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ARG-055THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0207)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ARG-094ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-96.2144)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ILE-039THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4524)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ILE-046PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4535)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ILE-075LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3979)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027LYS-089LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5502)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-030ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3667)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-057VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.8694)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-069SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7966)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-071VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6377)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-078GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.1727)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PRO-032MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8308)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027SER-034ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027THR-036SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-5.1079)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-070TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.1834)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-085ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3839)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-086TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0909)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-088ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.3019)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-090THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3288)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ALA-038VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.0335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ALA-041VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1000)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ARG-031GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-16.7042)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028GLU-072HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-23.5473)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028GLU-097LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-112.9015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-036LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4302)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-091VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2178)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-106VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=1.1155)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-151VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-037VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5562)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-055LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0489)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-058ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7100)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-059ARG-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-061GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8702)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-133PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5217)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LYS-067TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.3245)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LYS-317ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-19.7370)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028MET-031ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.4750)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028MET-037ARG-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5243)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028MET-040HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.1253)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028PRO-058LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028PRO-111LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8381)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028SER-055THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.9863)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028SER-056GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.2013)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-031THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=3.0450)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-036MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=2.1386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-038VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4192)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-058PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.1786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-085GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.3663)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-086ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.2399)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-105PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6154)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-128PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.0564)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-170LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.3026)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ALA-274ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5454)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ASN-034LYS-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-25.9910)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ASN-179SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.4841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ASP-070ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=83.0550)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029GLN-033ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=5.2705)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029GLU-045LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0721)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029GLU-055SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-17.6019)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-034VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4272)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-036PHE-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.8796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-040GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-045GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8655)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-095TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2436)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LYS-035GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.2107)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-094LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7465)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-101TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-103HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1712)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-168TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0022)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-177ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PRO-085GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-9.7497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029THR-121TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2910)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029THR-121TYR-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.8005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-302SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7986)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-305ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.4302)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-308ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-8.7222)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-315PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.8211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TYR-049GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0999)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029VAL-036VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029VAL-054LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.0912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029VAL-087LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.1203)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ALA-274ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6630)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ASP-320ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-99.7898)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLN-034TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLN-034TRP-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.3550)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLN-036MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-033GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-14.8468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-034ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=67.7112)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-038PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-042PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7589)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-049PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-5.1336)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-061LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-113.6050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ILE-034LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4859)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ILE-055ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=1.6752)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ILE-093TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9575)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LEU-034LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3960)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-078TYR-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-7.0856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-083GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-117.7200)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-085GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.2900)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-169THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-15.4904)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-042LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6658)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-044ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6300)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-061GLU-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1659)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-151ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.3850)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PRO-057MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.0465)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030SER-109GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-16.4886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030THR-121LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=1.2006)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-033THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-036PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.8054)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-042GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-20.5232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-046LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.4596)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-073PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9109)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-079LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3611)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-103PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.2218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-171THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-176SER-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-5.5262)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-212GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-17.4891)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-213GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.6776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-216SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0714)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-217THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9732)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030VAL-033VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.1666)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030VAL-044LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3170)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030VAL-050ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ALA-088VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1436)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ASP-034HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=21.9966)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-035LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6374)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-037SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-5.3651)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-109LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3279)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-125LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7037)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-128GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-14.0440)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ILE-034ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3864)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ILE-097TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9759)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ILE-246ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.0517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-091LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1687)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-125LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-168LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5822)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-213GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.9916)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-060THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-061ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9874)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-062HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1371)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-076ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4463)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-092TRP-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0236)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-095TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.2200)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PRO-097VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2291)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031THR-085GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-16.2219)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031THR-128PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4610)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-060ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-22.9793)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-164VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7595)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-168GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.1156)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-168GLN-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.8390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-171ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1395)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TYR-037PHE-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.5651)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TYR-048HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7228)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TYR-051GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0585)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-056PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7620)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-068LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7858)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-071VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4891)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-073VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4924)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-077ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9163)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032ASP-040HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.4244)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLN-116ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-20.5231)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLU-035ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-113.2588)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLU-169THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.0467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLU-169THR-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-16.0552)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032ILE-036GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5716)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032ILE-065LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=1.0630)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-080GLU-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-106.2016)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-083LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7209)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-091LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.4541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-091LEU-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032PHE-058ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.1189)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032PHE-081VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7515)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032PHE-095LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032SER-057GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-14.6403)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032THR-093LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6431)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032THR-094LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032THR-128LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-062ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4798)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-073PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.6030)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-074VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8091)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-083ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-7.1137)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-042ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.7617)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-052VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0514)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-056HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7546)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-068LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-080ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.5121)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-100VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.0958)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ARG-189PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.9994)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ARG-191LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4958)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ARG-191LEU-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.9782)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ASP-276SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-16.6131)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ASP-279LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-120.4694)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ASP-279LYS-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.4534)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033CYS-047TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.0553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033GLN-092ASN-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-7.0907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033GLU-036ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-114.8696)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033HIE-060MET-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0324)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033HIE-062THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=5.7814)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ILE-037ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ILE-061VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5897)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-053VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4719)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-059ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7674)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-061PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9008)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-089ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6228)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033PHE-058PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9600)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033THR-100GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.4738)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-062HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7131)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-091ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-7.0794)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-094ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-094ILE-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033VAL-048ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6877)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033VAL-055VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033VAL-091ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2571)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ALA-133LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7788)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ALA-152GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.8540)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ARG-060TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-14.8569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ARG-064LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6234)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASN-076SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2126)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASN-078TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.0321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASP-037PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6713)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASP-061ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-81.3728)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034HIE-057HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ILE-037TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1650)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LEU-038TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9141)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LEU-044TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2722)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-068GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-107.5193)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-070TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9129)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-070TRP-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8942)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-086TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1982)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-086TYR-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-6.4320)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-045TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.3199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-058CYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6670)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-062HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7915)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-069MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.8050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-072LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7793)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-100VAL-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.1456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PRO-065ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5910)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PRO-075PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2529)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034SER-105LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TRP-037TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.7322)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-136ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0176)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-143MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.6831)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-148VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3672)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-277TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.8893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-046LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3403)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-048PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4859)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-072VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3210)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-077LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1465)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-111LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7713)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ALA-065LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6995)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ALA-067ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.8853)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ARG-041THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-12.4819)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ARG-042VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6811)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ASN-172GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-10.0891)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ASN-174TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9687)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ASP-046ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-97.5606)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035CYS-038CYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=3.8851)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035CYS-154THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.2005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035GLU-189PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1490)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035HIE-059ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8979)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035HIE-059ARG-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-5.2510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035HIE-061ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0134)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LEU-061PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7516)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LEU-085LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LYS-083TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.0593)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LYS-090GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-5.4728)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-047TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.1700)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-062THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.6236)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-097LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-111PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.9041)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-128PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.1496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035THR-112LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6261)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-045HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.0435)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-058PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.5307)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-064ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-157VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2276)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-161LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-15.9684)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ARG-042GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-108.1928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ARG-162GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-17.8827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036CYS-039CYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.9595)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLN-040HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.9917)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLN-105LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4038)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-039ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-116.6641)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-039LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-112.3935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-045LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0272)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-053VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4832)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-056ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-81.0669)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036HIE-063LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ILE-040THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4972)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ILE-061ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5685)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ILE-063TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4628)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-039MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8007)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-041ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-046PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1052)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-046PHE-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2976)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-047TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7508)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-098ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5169)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036MET-049LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.1646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036MET-054VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=3.7829)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036PHE-075SER-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.9222)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036PHE-113ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.8869)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036PHE-303TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6273)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036SER-069THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.1254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036THR-090GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-18.2110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036THR-104MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8373)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036THR-133PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036TRP-047PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9962)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036TRP-049PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5773)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036VAL-060TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1829)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036VAL-070TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.1284)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036VAL-086TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ALA-056ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2911)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ARG-152GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-117.0712)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASN-040THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=3.5979)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASN-067GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-5.5860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASP-040ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-78.8873)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASP-064TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-17.9435)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037HIE-050GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-23.6849)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-116PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-125LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6722)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-162PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-165VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1877)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037LYS-162PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8206)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037PHE-048HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5813)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037SER-043ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-5.9739)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037THR-053ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=1.1333)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037THR-085LYS-2', method='MP2C', mode='dfhf_SA', basis='adz', value=1.1316)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-050ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.3627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-053LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0659)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-055LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-14.2091)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-055LYS-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7941)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-046THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-050LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.3597)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-066LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8341)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-068VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ASN-199LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ASN-202PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.6996)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038CYS-095PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0966)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038GLN-042ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-20.8418)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ILE-085ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4932)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ILE-094LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.3396)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-045PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-047TYR-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-054LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4447)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-109SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4989)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-109VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.0197)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LYS-047PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.9770)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038MET-041LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038MET-146PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.1700)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-042PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.8845)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-042VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-046ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0521)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-049PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2815)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-061VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-061VAL-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1587)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-101PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9060)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PRO-108ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6772)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038THR-053PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6395)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-063TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.1758)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-065PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.2270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-068TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.9401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-073ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4230)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-078ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7432)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-081TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.2552)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-082ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1287)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-132ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TYR-060TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.4356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-041VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.0783)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-072PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4388)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-082PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6846)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-083ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.0047)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ALA-095PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.9771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ARG-043ASN-2', method='MP2C', mode='dfhf_SA', basis='adz', value=5.3680)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASN-042ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-20.9661)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASN-081SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2904)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASN-083TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8030)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASP-057THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-15.7887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039GLN-047ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-15.5110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039HIE-057HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=9.4495)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-054LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8775)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-055TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8832)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-108ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6924)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-109CYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=2.8280)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039LYS-043HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9166)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039PRO-165PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.9396)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039PRO-166ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3294)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039PRO-199LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.0304)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039SER-054GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-16.4777)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039SER-067GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-17.3268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-046THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.4035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-077LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1722)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-079LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6487)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-083VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-052SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.4398)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-064VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0436)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-066LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7408)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-066LEU-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0590)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TYR-043ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=1.4015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039VAL-083TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6479)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASN-073PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5813)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASN-077TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9499)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASN-090ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-9.0897)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASP-065THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=2.4791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040GLU-045GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-18.0190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040HIE-103HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-9.6221)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040HIE-105LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ILE-054VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3125)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ILE-057LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4702)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040LEU-063TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9194)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040MET-085ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=1.1645)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040PHE-052TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.1224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040PHE-116PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.1112)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040PHE-133PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.3695)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-044TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1987)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-048VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6609)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-162GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5727)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-186TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3498)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-270TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-052GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.0923)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-055LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-121ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.1098)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-121ILE-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3092)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-122THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.2380)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-045TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.2680)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-055VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8140)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-076VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1279)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-079ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-082PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9004)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040VAL-063VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2297)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ALA-047TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.1742)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ALA-081GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8952)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ALA-121ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ARG-051PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.1040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ASP-084ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-92.0004)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041GLU-045LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-106.5041)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-058ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.5546)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-061PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4858)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-107PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2202)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-107PHE-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2668)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-146PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4802)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-155PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-162PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7559)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-170TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4240)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LYS-045GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1943)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LYS-107PHE-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0890)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LYS-110SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-18.2858)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-047SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1558)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-054HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.0896)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-073ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4615)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-077LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7708)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-094LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-6.2397)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-094LYS-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.8591)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-104VAL-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4320)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041VAL-059LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5755)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041VAL-064LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.0230)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ALA-082ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.0441)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ASP-045THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-18.1378)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-095PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.8165)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-101PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.9354)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-103PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-6.2872)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-121ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.4525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ILE-049PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7206)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ILE-052PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4624)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ILE-056PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6752)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-047ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3877)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-048ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8244)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-048VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7065)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-103HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5008)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-105LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3838)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LYS-049GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-121.7041)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-049PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0715)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-054PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7831)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-056SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8985)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-061LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5505)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-064LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1607)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-074LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.9427)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-077PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-085PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6223)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-087LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-088ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.3413)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-089ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0186)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-089MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6784)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-092TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.5554)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-101VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8641)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042SER-058ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9289)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042SER-062ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=4.5866)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042THR-052ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.8457)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042TRP-049ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-11.8199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ALA-073PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ALA-077TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8973)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ASP-054HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-24.3536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ASP-058ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-117.4349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ASP-062TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.9539)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043GLU-104ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0136)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ILE-055LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.2760)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-050PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6787)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-055THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4023)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-071PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-114SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3082)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-161TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.8282)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043MET-048ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2029)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043MET-060VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6049)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043PHE-065PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5051)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043PHE-068TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.8478)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043PHE-073PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1032)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043THR-059LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2933)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-048GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.4226)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-049THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0235)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-068LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-185HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.0261)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-186TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.1864)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043VAL-066LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1667)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043VAL-069VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4954)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ALA-052ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8963)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ASN-048THR-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.8804)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ASN-059THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.3084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044GLN-061LYS-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-27.1167)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044GLU-084ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-94.0297)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044HIE-067HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.6540)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044HIE-073TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.3216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044HIE-086GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-24.6859)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ILE-101HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2130)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-079VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2596)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-101ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-272GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5408)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-272GLN-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7694)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044MET-061VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6073)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044PHE-048LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0484)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044PHE-130VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.8553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044PRO-053ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.5077)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044SER-093ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-13.6743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044SER-118ARG-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-10.2471)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044THR-118TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0136)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TRP-048TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.4915)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TRP-085PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.5690)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TRP-147TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3297)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-048LYS-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-15.2644)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-059ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0447)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-077LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2914)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-109LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2622)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044VAL-174MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2810)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045ALA-054HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045ALA-071HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0107)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045ASP-081GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=90.4349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045GLN-062LYS-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-23.1909)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045HIE-051GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-22.8426)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045HIE-053ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.9264)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-049GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.0907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-049TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.3447)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-054PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9194)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-055ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.5714)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-070PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9651)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-097LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7504)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LYS-048GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.1421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LYS-084GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-71.8868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-057GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-7.0925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-061VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2451)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-066PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7337)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-075LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-9.9353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PRO-080VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2137)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PRO-100VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3898)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-048ALA-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4207)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-066VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3511)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-097SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2882)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-168LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9691)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-048ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7806)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-049ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9921)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-100VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7730)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-272GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.3858)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TYR-053THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7197)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-050ASP-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-94.7504)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-092TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=1.5805)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-182GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-76.3130)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-273GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-112.5518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ASP-083ASP-2', method='MP2C', mode='dfhf_SA', basis='adz', value=55.6983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ILE-071GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4580)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ILE-074LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=11.5593)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046LEU-068ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3405)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046LEU-103PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8777)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-050LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.8597)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-084LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6857)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-088MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-107PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.5873)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-119GLN-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8114)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-121LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3867)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-161TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.1394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PRO-140ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2326)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PRO-141ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6549)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046SER-054PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.9026)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046SER-088ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-5.7303)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046THR-069ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.4627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046VAL-094PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ARG-050GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-81.3201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ARG-059MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9165)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ASN-062LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3304)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ASN-276PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ILE-064LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2519)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047LEU-055LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1085)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047LYS-059ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-112.8817)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047PRO-164TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7649)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047SER-065PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7909)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TRP-081GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-9.2039)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TRP-083TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7994)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-052PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9488)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-053ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=1.9948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-055ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6665)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-058TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.8282)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-075ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7164)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-077HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5019)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-111PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4031)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-136TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=3.2293)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ARG-060MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ASN-052ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.9471)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ASP-081THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-18.1182)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ASP-131LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-114.2487)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048GLN-070SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.2418)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-052PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3483)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-091ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-5.8141)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-099HIE-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.7144)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-174MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.2759)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-178ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-25.1682)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ILE-052ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7359)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ILE-272GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7418)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ILE-279ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8511)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-070PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9674)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-070PHE-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0260)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-074TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6549)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-074TYR-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-077GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4501)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-141PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0158)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LYS-082ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6587)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LYS-098GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-109.0625)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048PHE-058PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048PHE-101LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5539)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048PHE-105TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7026)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048VAL-093THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.0001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048VAL-095LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048VAL-099ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5547)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ALA-092TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0403)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ARG-167GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-20.1153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049GLU-080ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-91.8106)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ILE-059ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.1785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ILE-070PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9062)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ILE-100VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5104)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LEU-054VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3227)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LEU-107PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4710)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LYS-121LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7662)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LYS-158ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-6.1596)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-056PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-057GLN-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.8452)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-091ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-093VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.4991)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PRO-052TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8032)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049THR-053LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5630)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049TYR-054PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1730)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049TYR-098GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=4.0132)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049TYR-102ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.1666)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-053THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-124GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5813)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-127LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0340)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-131VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ALA-081PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ARG-054THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-11.9409)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASN-083TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0792)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASP-053THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-17.2583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASP-067PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0763)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASP-092TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-23.2648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050GLN-055TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-5.1690)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050HIE-065PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.0288)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050HIE-087TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-9.4965)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ILE-053ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4230)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ILE-071PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6490)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ILE-079VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.1035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050LYS-056GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-110.7648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PHE-071PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2312)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PRO-053TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2836)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PRO-058PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3937)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PRO-096TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.8917)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050SER-066PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0012)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050THR-143THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.0537)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050TRP-054GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-6.0186)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050VAL-054THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=2.1489)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051CYS-154LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-7.7191)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051CYS-156THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=2.4758)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLN-089GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.9936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLN-089GLU-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-23.6778)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLN-098TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0669)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLU-056MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2483)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLU-056MET-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.7327)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051HIE-277ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-23.3764)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051ILE-068LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9402)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-055ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.7074)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-080ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7835)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-096TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6173)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-131LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8574)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-058VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-091ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-5.4891)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-091ARG-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-175PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0183)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051THR-152PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0990)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-093VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3478)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-095LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-097ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-6.6159)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-097ARG-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.2277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-107PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.8760)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051VAL-071ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5674)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051VAL-104ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3813)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ASN-061ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-6.1680)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ASN-143THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=1.8601)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052GLN-069ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-9.5559)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052GLN-117PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9778)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ILE-056GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ILE-087VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.5215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ILE-100VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.0001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-060LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4193)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-062PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-062PHE-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3302)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-070PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-141PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1880)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-152PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5744)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-056MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.8251)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-061CYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1862)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-071PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1214)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-073THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1628)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-075ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1793)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-111PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1500)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-141MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.2584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-148ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-157ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PRO-109LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052SER-063PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052TYR-058PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6426)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052TYR-061ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-23.7983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052TYR-116PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6484)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052VAL-057SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1344)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ASN-063SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.1786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ASN-131VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ASP-058TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-066LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.1239)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-069PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0815)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-075LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.0085)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-077LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6017)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053LEU-057PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8789)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053LEU-091ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4727)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053MET-140ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-5.8822)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053SER-089GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-18.0418)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-059LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2341)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-083ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-24.1557)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-092TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.2982)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-094LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.8838)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-142ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1365)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-169MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.3360)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-057ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0227)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-068PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-074ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6662)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-117PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4691)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054ASN-069PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.0444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054ASN-141ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=2.1026)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054GLU-057ARG-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-92.8424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054GLU-058ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-116.0498)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054GLU-141GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-12.6725)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054ILE-074ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.6900)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-061LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7156)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-063PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-069VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-091LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7625)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-091LEU-2', method='MP2C', mode='dfhf_SA', basis='adz', value=0.7332)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054PHE-101ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6214)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054THR-057ASP-2', method='MP2C', mode='dfhf_SA', basis='adz', value=1.4297)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054VAL-091ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.0284)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054VAL-097ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4000)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASN-058GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.8127)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASN-058TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5595)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-069ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-116.1168)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-104LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-85.9759)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-105TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-10.2406)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-185ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-110.8606)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055GLN-272GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=6.0416)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055GLU-121LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9246)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-059ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6554)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-061CYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5780)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-151THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9028)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-155ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=1.5049)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055LEU-060VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6758)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055PHE-139ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0100)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055PHE-141GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4621)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055PHE-141GLN-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3852)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055SER-071PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3125)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055SER-152PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6831)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055THR-072THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.5925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055VAL-059ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4665)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ALA-061VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4686)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ALA-175PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6248)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ARG-061LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056HIE-287LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8795)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056HIE-287LEU-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1571)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ILE-059PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1302)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ILE-059PHE-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1078)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056LEU-069LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3490)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056LYS-160ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-108.5954)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056MET-059MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1748)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056MET-181ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7766)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056PHE-062PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056PHE-129PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.8619)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056PHE-152PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1875)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056SER-076LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3006)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056TYR-062TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.4807)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056TYR-064VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.0011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056TYR-084ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7217)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057ARG-067VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2884)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057GLU-061ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-87.9967)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057MET-060MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9275)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-060LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0840)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-066ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1720)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-098VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4866)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-116PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1315)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-163ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1570)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PRO-063TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4901)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057TYR-091LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.4726)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057VAL-084ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.3074)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057VAL-084ASP-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.1155)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057VAL-181ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9366)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ARG-062LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8405)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ARG-141GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-9.6774)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ASP-279LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-107.3582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058GLN-067PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4839)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058GLN-067PHE-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9629)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058HIE-067GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4696)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058HIE-115GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.8537)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ILE-097TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7707)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LEU-071VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7819)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LEU-084LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.0530)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LEU-094GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LYS-122VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.1725)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-062ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8381)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-062TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.2600)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-070TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.7808)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-081PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.3179)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-101ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=1.0779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-131VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5098)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TRP-084SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.2719)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TRP-180SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-062GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-062GLN-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.2166)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-062LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-8.1894)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-066VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6066)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-068ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6129)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-077ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9527)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058VAL-085ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1322)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ARG-065MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ARG-067GLN-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-22.3426)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ASN-062LYS-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-26.0687)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ILE-068ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6039)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ILE-094LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5759)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LEU-117VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7595)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LEU-117VAL-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1609)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LEU-119GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4121)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LYS-063ASP-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-114.6249)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LYS-075TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-7.4653)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LYS-135ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.7925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-063ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.4357)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-118THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.0051)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-120TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7575)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-127ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059THR-088TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7837)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059VAL-084LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8837)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059VAL-136TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4023)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060ALA-081LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5863)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060ASP-165ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=78.8002)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-068PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5535)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-095PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-095PHE-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8544)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-098VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-120VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9505)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-152PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0113)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060MET-070GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=1.2796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060THR-087LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-17.5298)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060THR-176ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-12.3356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060TYR-064LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060TYR-128PRO-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060VAL-063TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9101)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060VAL-157PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7878)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ALA-080ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.0135)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ARG-083GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.3660)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ARG-083GLU-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-90.7870)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ARG-084LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3091)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ASN-065ASN-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.3694)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ASP-065LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-5.8654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-080ARG-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-77.6739)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-088PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.3924)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-142MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-7.8566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-145LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6953)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-064PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4685)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-086ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0351)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-089MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3080)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-091ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.0397)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-092TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1207)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-098LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-155ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.2266)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061LEU-065MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4738)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061LEU-079ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2820)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-068VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5601)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-086VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0341)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-086VAL-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5999)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-099ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.1016)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-117VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6488)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PRO-088PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2527)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061THR-081THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2325)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061THR-083GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-13.7196)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061TYR-066LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.1272)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061VAL-064TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2240)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061VAL-066VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.5126)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061VAL-068ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8298)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ALA-070MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ASP-080ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-85.8518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-110GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-6.2543)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-112PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0843)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-171PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=2.7052)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-173TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.4703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-173TYR-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1937)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-070GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-7.4508)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-072LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-073TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=4.5520)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-076ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6344)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-067ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2076)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-069TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-105TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4389)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-107PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8320)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LEU-075ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LEU-077ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5427)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LEU-079LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4382)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LYS-067PHE-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6849)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LYS-147GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.2236)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062PHE-120TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062PHE-128PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.1267)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062THR-099ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-8.6442)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062THR-102HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TRP-073ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5074)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TRP-164PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.9631)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TRP-166PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-077PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.1850)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-083GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-21.4881)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-084ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9981)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-093ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3286)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-095TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.2459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063ASN-081THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.8283)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063GLN-067ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=12.4066)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063GLN-136TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.0551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063GLN-165ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-9.3174)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063ILE-077LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2718)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063LEU-068HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063LEU-108LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5388)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063LEU-140LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1179)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-090GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5381)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-090GLN-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7140)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-091ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-094VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9372)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063THR-092TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0428)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-081TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=1.9081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-085MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.3485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-098LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-136PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5044)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063VAL-067LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063VAL-154THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4909)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064GLU-111TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4113)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-072PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2889)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-084TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.9415)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-084TYR-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.0320)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-090TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064PHE-097PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2574)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064PHE-123THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9302)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064PHE-125TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.9791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064SER-171PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=1.9254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064THR-116PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6845)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-068LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-5.0803)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-078PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.3953)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-082VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1193)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-083LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6286)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-164PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.5604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064VAL-073ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.0834)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064VAL-143GLN-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5781)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065ALA-070PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6708)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065ASN-110GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065ASP-110GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-5.0311)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065GLN-088TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065LEU-077VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4607)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065LEU-080VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9196)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065MET-117PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.9714)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065PHE-095LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6024)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065PRO-101LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4287)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065PRO-111TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.6639)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065SER-068TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=1.1621)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065SER-108TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5898)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065THR-069ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065THR-082LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9934)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065TRP-146THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9197)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065TRP-154THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4853)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065TYR-090PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7481)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ALA-084ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ALA-136TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1345)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ARG-167GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-116.4970)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ASP-069ARG-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-92.1250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066GLN-070ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.0938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066HIE-069GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.4005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ILE-146VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5662)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066LEU-073PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066LEU-138THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4878)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066PHE-075LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7310)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066PHE-109SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.0672)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066PRO-095TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.0485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066TRP-109TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6142)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066TRP-110PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066VAL-085ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.3582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067ARG-077ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.2945)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067ASP-070ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.1505)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067GLN-115GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-5.5479)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067GLN-117PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.3218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067GLU-139TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.7493)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067HIE-070HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.6152)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067HIE-086GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.2183)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067LEU-078LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5628)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067LEU-107LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4761)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067LEU-109VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4973)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067PRO-095TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.2521)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067PRO-101ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5358)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067SER-073TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2085)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067THR-080TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9454)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067THR-082VAL-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067VAL-085ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=2.3041)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ARG-072THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-12.0408)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068HIE-075LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-10.4338)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068HIE-080GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=1.9738)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068HIE-123ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-24.8408)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ILE-072LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.1612)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ILE-084TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6923)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ILE-091LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.0659)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068LEU-081VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068LEU-146PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068MET-131LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.4626)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-076LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.8518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-076LEU-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-077ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4193)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-077VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7721)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-080LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7762)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-080VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8651)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-083LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-110LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7713)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068TYR-073ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8547)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068TYR-078ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0707)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068TYR-082HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4882)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069ARG-075ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7212)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069ASN-119VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4943)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-076ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8660)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-076ILE-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-6.2282)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-078ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-115.4642)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-123ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=61.7929)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069HIE-075ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6443)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069HIE-078PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.8152)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069ILE-101ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.6669)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069PHE-078GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-5.2469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069PHE-080TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0644)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069PHE-166TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=1.9524)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069THR-080LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4543)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-073TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.4630)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-086GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-086ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5217)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-114VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3923)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070ASN-080GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=7.6578)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070ASP-076THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-13.8977)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070GLU-073LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070GLU-073LYS-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-91.3713)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070MET-075ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070PHE-120TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.4297)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070SER-082VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6777)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070THR-120ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=6.1289)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070THR-124THR-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.8948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070TRP-084VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070TRP-138LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.3582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070TRP-174PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.2135)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071ASP-074LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.7032)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071LYS-195ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.0422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-080ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8091)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-080LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8269)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-086ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2428)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-108ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9473)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-114SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.0272)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071SER-082HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-5.1385)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-076LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1168)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-078GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.6287)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-099TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-5.7993)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-100SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-125PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.9279)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-165ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1641)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-166TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0142)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-077ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2737)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-083ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3849)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-085ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-119VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.3181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ARG-116ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-92.8099)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ARG-118TYR-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-5.8661)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ASN-075ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-17.5696)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072HIE-093TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072HIE-095PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7744)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-077PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1987)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-082HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-116PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9106)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-116PHE-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3890)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072THR-175GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072TYR-076ARG-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3285)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072TYR-127ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.0964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072VAL-176PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ARG-076LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.9784)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ARG-119ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-101.7501)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ARG-163ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1299)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ASP-135ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-109.2436)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ASP-193VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.2441)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073GLU-077ASN-2', method='MP2C', mode='dfhf_SA', basis='adz', value=0.5268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073GLU-119SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-17.9366)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ILE-128ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8492)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073LEU-120TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7773)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073PHE-077TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.4681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073PHE-079LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5896)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073SER-090SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2239)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073SER-178SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.0665)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073TRP-089TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.8466)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073VAL-111ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9507)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ALA-083TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7099)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-130TYR-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0288)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-135SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0927)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-135SER-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-11.8811)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-136GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.3167)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-147TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5634)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-147TYR-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-5.1808)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074GLN-094ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-5.1242)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074GLU-096ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-60.7189)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LEU-079TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LEU-102PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1341)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LEU-107PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.2225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LYS-127ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074PHE-080LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0338)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074PHE-083HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074SER-091PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3012)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074SER-111GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-18.8850)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074VAL-080TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.1923)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074VAL-083ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6788)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074VAL-190LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075GLU-079GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-12.0687)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075GLU-079GLU-2', method='MP2C', mode='dfhf_SA', basis='adz', value=76.9748)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075ILE-080ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5735)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075ILE-112LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3815)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075LEU-094ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4828)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075LEU-111LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1558)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075LEU-111LEU-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075PHE-093PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4600)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075PHE-182ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0155)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075PHE-184PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075SER-078TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3172)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075SER-111ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-16.2011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075TRP-176ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.0050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-079GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-95.3440)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-120TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.4649)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-208TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3511)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-208TYR-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-5.6012)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-084LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7974)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-089TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-24.4226)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-091PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2272)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-188GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-19.8474)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076GLU-170LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.6222)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ILE-094ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0970)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076LEU-086MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.0469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076LEU-117ILE-2', method='MP2C', mode='dfhf_SA', basis='adz', value=0.1601)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076LEU-123THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3950)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076PRO-111TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7696)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076PRO-112LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.2236)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076SER-082PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076THR-090SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.8245)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-125ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-125ILE-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1691)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-136TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7443)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-139ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.8518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-143TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.7387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ALA-096ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6436)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ALA-138ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2419)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ALA-138ARG-2', method='MP2C', mode='dfhf_SA', basis='adz', value=0.0853)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ASP-080ARG-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-84.4355)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077HIE-111LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-102PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8046)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-112ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5358)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-125VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9442)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-128TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-128TYR-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077LEU-093VAL-2', method='MP2C', mode='dfhf_SA', basis='adz', value=0.1205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077LYS-178VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.2874)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077LYS-186ASN-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-18.2555)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-089PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.3491)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-093ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.3552)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-097LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4278)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-116PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5861)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-160VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5192)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-162PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1332)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-201ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-6.0931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-205GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-8.4460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078ALA-126VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3950)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078ASP-157LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-103.2212)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLN-085LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2810)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLN-088GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-19.6169)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLU-099THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.9396)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLU-127GLN-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-22.1404)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078HIE-081PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5364)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078LEU-108VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.5002)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-082VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9361)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-096ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-104TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.2338)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-107ALA-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8233)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-108LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8757)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-179LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.8863)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-215ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8347)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-218LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-218LEU-2', method='MP2C', mode='dfhf_SA', basis='adz', value=0.4822)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PRO-115PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2473)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PRO-186ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.1611)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078SER-184PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.4563)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078TYR-082PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.7141)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ARG-083ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-96.9937)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ARG-182ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-109.0626)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ASP-131HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-26.3859)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ASP-135ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.6288)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079PHE-089PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2096)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079PHE-100THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079PHE-104LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079SER-088ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5712)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079SER-208TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2228)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079THR-089LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8678)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079THR-089LEU-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079THR-110THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.4608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-084PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0888)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-109VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6474)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-112LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5958)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-112LEU-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-146PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.2921)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-153TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5524)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-167GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=2.0974)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079VAL-087LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1537)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079VAL-094ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1876)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ARG-088PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.0121)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ARG-090ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.0442)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ASP-087LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-110.5658)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080GLU-092ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.9304)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080GLU-155ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-117.2499)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ILE-112LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4183)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080PHE-085LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.8611)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080PHE-098SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2187)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080PHE-166PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7815)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080THR-090ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.9142)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-088LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1131)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-090TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.8721)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-095ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7778)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-108LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.2520)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-136ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3099)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TYR-129TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.6339)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TYR-172GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=1.8811)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ALA-088ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6709)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASN-084LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4638)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASN-085SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.0527)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASN-100TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-5.2768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASP-092SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-16.8839)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLN-085ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-21.5684)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLU-101ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=6.0217)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLU-103GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2195)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLU-103GLN-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-13.0303)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081HIE-202PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.6772)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ILE-085ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.4431)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081LYS-105VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.9907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-106CYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=15.2277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-134GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2428)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-134GLU-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-8.1824)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-138ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.3827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081SER-087PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1585)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081TYR-085ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6732)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081TYR-130VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4369)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081VAL-105TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7457)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081VAL-149HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ARG-088PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.8265)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ARG-088PHE-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.9458)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-121LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4227)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-135ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6857)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-136PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4025)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-186VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7629)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082LEU-176PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6266)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082PHE-091ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=1.5194)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082PHE-102TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.5871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082PHE-104VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-108LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3018)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-126SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3889)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-127PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5480)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-130VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ASP-089HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-22.7321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ASP-105TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=4.4111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ASP-136ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-92.8459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083GLU-094TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-7.0145)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083HIE-086GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-24.6706)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083HIE-089ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-24.2783)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ILE-155ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5884)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ILE-173LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3601)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-087LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0048)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-088TYR-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4655)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-101GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7962)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-108VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4209)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083THR-086MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=1.3440)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083THR-087GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1092)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083TYR-087PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.6873)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083TYR-094TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083TYR-096ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-087LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6970)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-094PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6085)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-094PHE-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5967)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-103TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3440)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-140TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8695)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-153PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.0838)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ARG-089ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-86.6998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASN-099LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1350)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASN-103TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-7.6396)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASP-087PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.2494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASP-107ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-13.2358)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASP-126VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.1216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084CYS-090LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-10.6082)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084LEU-090LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5000)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084PRO-122PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0669)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084PRO-135PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2635)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084THR-107PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084THR-108TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6304)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084TYR-089ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.8451)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084TYR-095LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1155)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085ASN-099TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085HIE-094TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.2189)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085HIE-101TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6752)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085ILE-089ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3177)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085ILE-103LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-094PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7932)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-108LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3325)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-137ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9505)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-138LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5973)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LYS-088GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-110.1873)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LYS-094TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0049)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085MET-136PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9457)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085PRO-090LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085TRP-089ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.5654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085TRP-135LYS-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-6.8205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ALA-101GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5014)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ALA-104TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7297)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ALA-136PHE-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-091ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-5.8513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-092TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-5.9671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-112TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-10.7601)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-115ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-110.4591)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086HIE-089GLU-2', method='MP2C', mode='dfhf_SA', basis='adz', value=15.4281)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086PRO-090ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2601)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086SER-136TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.8974)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086VAL-105LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6130)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086VAL-116VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5612)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087ALA-171PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.2096)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087ALA-173TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2138)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087ASN-091LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=4.7109)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087CYS-119ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=7.5643)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087CYS-121LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.0854)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087GLN-139ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-5.9303)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-095PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1993)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-095PHE-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0875)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-096TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8662)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-109VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3392)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-153PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.0362)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087PHE-126VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5066)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087PHE-186VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2835)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087PHE-188VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9156)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087VAL-102LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.2224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088ASN-092ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0315)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088ILE-135LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.0791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088ILE-135PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3044)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088LEU-108ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4899)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088PHE-092LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7590)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ARG-106ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-91.1275)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ARG-108TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-11.8288)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ARG-131VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0337)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ASP-092PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.8955)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ASP-112ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-13.1138)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ASP-131VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.2467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089CYS-105LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0179)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089GLN-117PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.4979)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089GLN-125TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ILE-112TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5499)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089LEU-127VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8226)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089THR-098LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4477)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089THR-098LEU-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3832)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089TYR-094TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3644)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089TYR-153VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4381)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ALA-121PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2062)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ARG-187SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-7.2716)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090GLU-119ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-100.3802)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ILE-099LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4557)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ILE-107SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8900)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ILE-190VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2027)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090LYS-122ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-5.3564)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090LYS-122ASP-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.5298)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090PRO-129TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4967)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090PRO-154VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2965)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-095ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-8.0054)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-095ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9803)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-099ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7340)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-105LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-112GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=7.1034)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-113ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0834)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091ASN-096TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-6.3633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-098SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.2128)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-118THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3063)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-118THR-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.1813)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-121LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.8370)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-122ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=12.1435)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-125HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-127VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5246)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091LYS-140SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6913)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091LYS-140SER-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-16.4484)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091THR-094HIE-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-5.5779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091VAL-094ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.1218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092ALA-164GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5762)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092LEU-095HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3136)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PHE-099TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.9518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PHE-120VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4333)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PHE-131VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8511)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PRO-102HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2392)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PRO-133LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8863)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092TRP-100GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=25.3108)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092VAL-117PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9427)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ALA-099THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6056)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ALA-164ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.9491)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ASN-096LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2965)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ASP-097THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-20.3473)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093HIE-118GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.3768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093HIE-120ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093PRO-184PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2801)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094HIE-099THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1564)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094HIE-104PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.4245)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094ILE-114TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7521)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094LEU-132VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6441)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094LEU-182MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6749)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094LYS-112ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-120.4793)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094PHE-098ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.6495)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094PHE-141ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4713)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094PRO-135MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7139)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094TYR-097THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.0422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094TYR-151VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094TYR-153VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4709)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094VAL-125TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7230)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094VAL-152LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.1298)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094VAL-166PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ASN-164ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-22.0093)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ASP-102TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=5.7406)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095GLN-098TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7732)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095GLN-185THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7694)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095GLN-187ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-5.6581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ILE-120TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4793)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ILE-120TRP-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8367)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ILE-144THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4420)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LEU-103ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3512)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LEU-130VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5309)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LEU-133LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4763)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LYS-107ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7236)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LYS-109THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-14.5505)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LYS-127ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-5.6971)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-099LYS-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.3101)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-118ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7136)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-154ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0834)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-160VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8114)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-160VAL-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3130)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095SER-114THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8098)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095THR-182ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=1.9839)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095TRP-099LEU-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095TRP-104VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6657)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095TYR-106TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.5479)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ASP-100ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-19.5224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ASP-101GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-21.2720)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096GLU-121LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.4992)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-101GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.9664)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-103SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.8847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-126LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4227)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-127ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=12.9102)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-132VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0665)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ILE-127VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2137)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ILE-127VAL-2', method='MP2C', mode='dfhf_SA', basis='adz', value=0.0742)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096TRP-110LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9219)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096VAL-105LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.4549)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096VAL-108THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ALA-105LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4665)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ALA-117HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8251)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ASN-102TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.6347)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097GLU-101ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-101.7948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ILE-105THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097LEU-111PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9891)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097LEU-113ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=1.8982)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097LEU-128PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8066)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PHE-103ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.8576)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PHE-181TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.5871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PHE-183ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7976)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PRO-106ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TRP-145LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3031)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TRP-173TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.8064)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TRP-213ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TYR-101TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.2103)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TYR-179LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.1439)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TYR-179LYS-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.2021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097VAL-112TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6835)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098ILE-145ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4858)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-101VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8064)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-115SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8539)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-117ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3800)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-136PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8249)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-144VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3295)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-144VAL-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4183)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-146TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8089)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098PRO-101GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098PRO-102ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.2765)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098PRO-114PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-112PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.8000)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-127VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.4105)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-138TYR-2', method='MP2C', mode='dfhf_SA', basis='adz', value=3.1806)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-164ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-16.5965)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-101GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-105TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5392)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-152ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5108)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-286TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6798)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-287LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2121)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-102HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.8972)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-147VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-149ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-177ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-102.4944)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-216GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-86.5456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099GLN-108GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.3182)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099GLN-148HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.8426)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ILE-103ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2406)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099LYS-104THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6188)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099MET-107ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6876)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099MET-126VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.5587)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099PRO-104TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4655)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099PRO-164PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9759)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099PRO-166GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.5649)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099TRP-118PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099TRP-272GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-23.5943)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ALA-112PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4154)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ASN-113LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6666)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ILE-103HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6498)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ILE-104LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100LEU-130VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5275)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100LEU-134ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1899)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100LEU-142LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100SER-119GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-18.7967)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100SER-131VAL-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8877)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100SER-148ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=2.6638)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100THR-104LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100TRP-103LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-11.3329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100TRP-103LYS-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1593)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100VAL-283ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ALA-104ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.0562)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ALA-128ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5529)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ALA-138TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2229)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ARG-142LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7122)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ASN-125HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.8011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ASP-145THR-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-17.5749)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ILE-110LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6127)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ILE-110PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ILE-123ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5820)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101LEU-111TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0135)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101LEU-125TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2959)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101LEU-132ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4473)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TRP-132VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7418)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TRP-135LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.3912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TRP-177ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7464)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TYR-151VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1339)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101VAL-106LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7484)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101VAL-132PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101VAL-132PHE-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0594)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ALA-114PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.1270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ASP-106SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.2490)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-109TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.3243)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-127GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4992)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-269HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.6449)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-270TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.8708)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-272GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.8986)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-110ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3867)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-145ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4804)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-149TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-149TYR-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6844)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-153PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5692)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102SER-165LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-7.5157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102SER-169ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-16.9818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102VAL-133PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7066)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ASP-149TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-21.5143)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ASP-269HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-10.6524)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLN-108PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.1440)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLU-106LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-110.7265)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLU-108TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-20.2318)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLU-177ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=83.0674)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103HIE-168TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-10.3218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ILE-110VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4631)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ILE-130VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5045)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ILE-132PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6338)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103PHE-122MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2490)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103PHE-127LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7380)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104ALA-125TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.0651)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104MET-112ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7055)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104MET-133PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1052)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-107ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-129ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0719)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-147LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2872)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-166GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-21.7316)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-168LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5016)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-169PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6396)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-202PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.4766)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-205GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8951)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104VAL-108ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104VAL-112SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3992)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104VAL-126ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6168)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ALA-115GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3622)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ASN-139VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8838)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ASN-146GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=1.2649)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ASN-154ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=6.1097)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ILE-128LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.0496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ILE-131ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3343)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ILE-135LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5236)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105LEU-114TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7952)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105LEU-168ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8593)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105LEU-175PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2869)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PHE-127LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7751)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PHE-130ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.7235)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PHE-130ARG-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5573)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PRO-128ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.4607)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PRO-181TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-7.6969)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105TYR-149HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.1773)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106ASN-130HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=1.7821)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106ASP-133GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=5.5595)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106GLU-129LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-111.4456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106ILE-168ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1754)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106LEU-126LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1359)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106LEU-149PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3540)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106LEU-149PHE-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106PHE-109PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.1204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106PHE-178LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.2264)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106SER-128PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=1.2742)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106TYR-112SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8175)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106VAL-112LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4595)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107ASP-125ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-23.0017)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107ILE-153TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7579)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107ILE-158MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7382)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107THR-125ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4955)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107THR-129LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-17.5803)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107VAL-147PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8012)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107VAL-147PHE-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108ILE-122VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4901)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108ILE-146GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.0964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108LYS-131ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108LYS-160LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.0395)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108PHE-125TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6653)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108PHE-127PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5766)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108PHE-150VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7367)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108TRP-151ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5169)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108TRP-155VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4713)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109ARG-115GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-111.1646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109GLN-161GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0130)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109GLN-161GLU-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-11.9182)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-113ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.8397)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-181ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8058)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-182VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0094)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-185VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-228TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.4330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109SER-137ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=2.6374)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109THR-131VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9728)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109THR-158MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4619)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109VAL-164ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1980)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ALA-161PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3845)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ALA-164ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2913)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110GLU-129LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-112.9219)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-116PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8803)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-149ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9322)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-151VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8461)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-162VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6943)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110LEU-125VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2675)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110LEU-127ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-123ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.0906)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-128PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-222TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.9280)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-226LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9701)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-226LEU-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0555)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110THR-127GLN-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-5.0609)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110THR-129TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-5.0481)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111ASP-156SER-2', method='MP2C', mode='dfhf_SA', basis='adz', value=9.3712)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111ASP-193HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-9.6454)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111HIE-218LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.1021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-116ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-130TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1281)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-158LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3516)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-169LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111TRP-115GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.5448)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111VAL-125ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4140)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ALA-128PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6616)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ALA-131VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6507)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ARG-115ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4900)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ARG-125PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.8661)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ARG-127GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ASP-183GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=85.3651)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ILE-125VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.0881)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ILE-142ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7677)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112LEU-142PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0535)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112LYS-127LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7906)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112PHE-121LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2573)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112PHE-125HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2028)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TRP-119ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8520)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TRP-119ARG-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.6782)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TRP-120VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4016)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TYR-125GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.9069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TYR-128LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8272)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TYR-190ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-8.1654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-118ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.6739)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-120VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-122VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1240)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-225TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8594)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ASP-195GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-14.0894)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-131VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-164HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1025)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-185VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.2457)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-190ARG-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6879)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-232ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7251)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113LYS-117GLU-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.3818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113LYS-170VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4398)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113LYS-173GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-121.9179)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113SER-120ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1710)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-119PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6080)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-124HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.4493)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-126ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8064)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-171ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-21.7016)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-178ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TYR-124THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113VAL-120HIE-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6552)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113VAL-143PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6352)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114ALA-160ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3572)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114ASN-122ARG-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5762)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114ASP-179LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.1915)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114GLU-144ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-7.5061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114GLU-146ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-117.4839)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114LEU-118ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114LYS-225TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.8882)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114VAL-167GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.6982)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115ASN-124LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8257)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115ASP-156ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=84.8148)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLN-118ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.1267)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-123PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-123PRO-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.7983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-160GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=63.0782)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-163TYR-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.9656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115MET-168TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6123)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115PRO-129TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.1472)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115THR-138VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3366)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115THR-142GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-18.3860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115THR-142GLU-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-16.7397)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115VAL-122MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115VAL-123PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115VAL-130ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.2239)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116ALA-162PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8384)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116LYS-144SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-8.5281)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116PHE-130VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116PHE-165VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6946)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117HIE-123PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2382)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117ILE-142PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9307)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PHE-125TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.8583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PHE-130HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0956)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PRO-126ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6447)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PRO-129TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=1.4800)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PRO-130LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1117)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117VAL-166ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5137)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ALA-160VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1009)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ARG-157ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=9.7741)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ARG-185ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=62.9434)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ASP-136HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-25.3430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118GLN-121PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9787)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118GLU-173PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.0431)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118GLU-176THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5728)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-136VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3559)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-165ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1942)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-166TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0134)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-178TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118THR-121LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7916)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118VAL-162PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119ALA-160LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4267)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119CYS-168HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.2511)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119LEU-137ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.3429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119LEU-137ALA-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1091)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119LYS-186VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5782)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119MET-144SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7109)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119PHE-124HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.2384)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119PHE-176THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119SER-123ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.3640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119SER-140TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3684)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119THR-123THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7262)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119THR-123THR-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1382)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119TYR-174ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8529)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120HIE-185ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5004)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120ILE-123TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-123ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2071)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-124ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.5612)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-124LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-135ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5814)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-171TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2143)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-171TYR-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4165)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LYS-138VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4180)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LYS-142ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-98.2172)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120PRO-126ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120SER-136HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9686)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120THR-143VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1686)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120THR-147GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-18.3703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120TYR-141PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1112)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120VAL-123ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6650)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120VAL-154ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5596)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120VAL-275LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121ASN-132THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8481)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121GLN-144ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-20.8554)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121LEU-125HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4700)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121LEU-125HIE-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121PHE-126VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9921)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121PHE-191LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5766)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121PHE-219TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4229)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121TYR-125LEU-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.8428)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121VAL-157ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6790)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122ASP-125LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.2074)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122LEU-188VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122MET-126GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-7.5934)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122VAL-125ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0567)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122VAL-143VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4679)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122VAL-152PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123ALA-128VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123ALA-158ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=2.4672)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123ARG-127GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.2088)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123MET-140ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4132)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123SER-182ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.4612)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123THR-136SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.0977)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123TYR-154VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123VAL-134LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2428)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ALA-156THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2854)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ASP-131THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=4.6650)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ASP-132THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-18.7048)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ASP-134ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-110.8193)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124GLN-200ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6340)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124HIE-140GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-24.1569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124HIE-143VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2756)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124LEU-136HIE-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2636)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124LEU-181VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2226)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125GLU-192PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-5.0547)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125ILE-136TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5639)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125LEU-129LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0474)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125PHE-143VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0055)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TRP-138SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.6347)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TRP-150VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0313)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TRP-152LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7592)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TYR-164HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.6083)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ALA-140GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6539)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ASN-129ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5402)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126GLU-130ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-102.9629)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ILE-136PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5727)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ILE-139PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0872)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ILE-139PHE-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.3826)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126LEU-130HIE-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126LEU-162PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7548)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126LYS-158ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126PHE-132HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3985)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126PHE-171TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.2746)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126PHE-176TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.4307)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126SER-171ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5483)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126THR-197TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0306)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127ALA-177ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7822)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127GLU-146ARG-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-96.2519)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127GLU-269HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127GLU-269HIE-2', method='MP2C', mode='dfhf_SA', basis='adz', value=13.7374)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127LEU-210VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2761)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127MET-131LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2141)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-132ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9962)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-133SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7857)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-138SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3312)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-140HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.1102)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-158VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6958)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-183TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0696)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-206ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9300)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-237ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-239PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.8165)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128ILE-131LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128LYS-183TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0684)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128PHE-235LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128PHE-252LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3881)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128PRO-275LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128TYR-158MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.7056)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128TYR-160LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128VAL-160LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129ASN-132TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.1590)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129ASP-140HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-24.0785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129ASP-148TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.8796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-155PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7138)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-192PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1831)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-195PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.1881)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-277TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-277TYR-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129PHE-133VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7659)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129PHE-156ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-6.9319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129PHE-166PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7300)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129TYR-133ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-7.6137)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129TYR-136TYR-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.9219)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129VAL-159PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9300)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129VAL-184PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4981)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130ARG-170TYR-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.6172)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130ARG-244ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5792)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130ARG-248GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-75.8617)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130GLN-134GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-16.5775)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130GLN-137ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=1.2480)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130PRO-135ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8651)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130PRO-139ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4431)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130PRO-180PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130SER-149HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-7.7177)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130SER-153TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-5.2727)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130VAL-139ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.6344)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130VAL-162VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4197)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130VAL-185PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ALA-140HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4797)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ARG-134GLU-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-79.1398)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ASP-147PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2399)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ASP-182PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.1936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131LEU-136VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.1444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131LEU-160MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5407)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131PRO-219VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3381)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131PRO-220GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.8918)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131THR-149LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4091)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ARG-136ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ASP-156ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-100.7614)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132HIE-135LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8351)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132HIE-147ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-25.0767)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132HIE-149ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9261)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ILE-135PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7416)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ILE-138TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.4565)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ILE-146TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7239)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132LEU-198PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7398)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-162VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2752)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-174SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6474)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-176VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0751)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-183GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6810)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132TYR-136PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6733)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133LYS-136ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-101.9095)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133LYS-198PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133PRO-151ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.5381)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133SER-161GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-16.4272)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133TRP-143MET-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.2186)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133TRP-148VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=1.1777)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133TRP-277TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=1.9013)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133VAL-137ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.4292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133VAL-146TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7219)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134GLU-138ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-102.6924)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134ILE-147ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.5249)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134ILE-167LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2107)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134LEU-205TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3346)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135ARG-193VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7787)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135ILE-180PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6129)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LEU-139LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LEU-163LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.0923)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LEU-179LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1546)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LYS-157GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-104.3113)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LYS-177ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7504)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PHE-147TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.5484)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PRO-140SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5544)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PRO-144LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6740)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PRO-155PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2154)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135TRP-147GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-5.4258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135TRP-208ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8722)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136ARG-142ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.9635)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136ASP-198PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-6.6022)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136ASP-201VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.8722)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136CYS-143PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7892)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136PHE-141ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6088)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136PHE-146TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5434)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136SER-144ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-13.5892)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136TRP-155CYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2028)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136TRP-165ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-22.5377)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136TRP-179MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136VAL-169LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5195)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137ARG-154TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.1919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137ARG-154TRP-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-6.3911)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137ARG-157GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-99.7383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137GLU-143MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.2169)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137SER-156ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6360)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137TYR-166SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.1206)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138ARG-142GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-91.5735)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138ILE-156ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5980)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138LEU-149PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9276)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138PHE-153PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.4273)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138SER-169VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138TRP-146PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.0424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138TRP-243LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.1455)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138VAL-144ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139ASN-154SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.8700)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139GLU-144LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-114.6439)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139ILE-143TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1475)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139LEU-204TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1055)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139PRO-180PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139TYR-148SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0193)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140GLU-143VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.4392)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140GLU-155THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-15.6913)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140GLU-156ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-116.9757)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140LEU-168LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.1120)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141GLN-160PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141LYS-144GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-109.5523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141MET-155ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2766)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141PHE-152PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.9512)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141SER-144ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-13.0433)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141SER-154ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142GLN-154GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.4170)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142ILE-155LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142ILE-155LEU-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5477)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142ILE-185VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6952)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142PHE-170ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6413)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-147LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-8.8532)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-148TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.4170)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-150VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.0715)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-160PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.4457)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-170ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.8092)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-199THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-203VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7344)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143ARG-187ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-114.0612)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143ARG-188LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=62.8657)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143GLN-147GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-22.2792)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143ILE-146VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2682)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143LEU-160ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.8703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143TRP-146LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.7089)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143TYR-150ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5932)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143VAL-147LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5243)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143VAL-152PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7760)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144ARG-147GLU-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-91.6291)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144ASP-150SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-14.7924)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144ILE-155THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5914)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144LYS-161GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-120.3272)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144PHE-153LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.9074)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144PHE-155ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='145GLN-149MET-2', method='MP2C', mode='dfhf_SA', basis='adz', value=4.7587)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='145LEU-149PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7669)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='145THR-149PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2927)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146ARG-207GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-116.6786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146GLU-158SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=9.9639)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-149PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.5814)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-150LEU-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-150VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-164TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-165PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9320)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-199LYS-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146VAL-161VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4592)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146VAL-161VAL-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2853)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146VAL-165HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3108)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147ASP-171TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-23.9638)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147ASP-188LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-109.9680)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147LYS-203VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147PHE-159PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.4454)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147PHE-182PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7289)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147VAL-175SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148ALA-158LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4713)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148HIE-152GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.8914)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148ILE-202VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3728)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148ILE-204ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0738)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148PHE-164HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.4760)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148PHE-165TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.0927)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148SER-163ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5588)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148TYR-170ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-167THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-171TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.2733)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-175SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-177ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-5.8780)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149LEU-152GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2755)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-159ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-164PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9607)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-165PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5822)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-169VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3134)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PRO-152GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.7393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PRO-152PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6625)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149THR-157PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7203)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149TYR-153PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.3476)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150ARG-157ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-111.3016)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150ARG-208ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0027)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-153PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6203)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-154TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3239)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-159PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0674)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-167LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2850)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-170HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8626)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-202LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5655)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-203GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.2153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LYS-158LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3289)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='151ILE-159VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.3570)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='151SER-159PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='151THR-163THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=6.3323)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152ASP-156LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.7419)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152ASP-158LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0571)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152CYS-197VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.9241)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152LYS-156ASP-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-114.0809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152LYS-277TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.2246)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153ASP-156ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-66.7107)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153ASP-200ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-104.4972)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153LYS-203GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-113.9485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153PHE-163LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0043)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153TRP-158MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.6141)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ARG-204ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=62.2973)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ARG-208TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-9.9225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ILE-159GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4260)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ILE-160VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3986)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154LEU-191TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8994)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154LYS-159ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2630)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154TYR-203GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=5.7801)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154TYR-207ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=1.0248)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PHE-197TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4923)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PHE-277TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.7171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PHE-284LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6297)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PRO-170TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0426)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-171ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-93.6226)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-172THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-13.7845)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-197GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-112.4035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-200TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.3932)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-200TRP-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-12.0672)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156SER-191TYR-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157ASP-202VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0474)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157ASP-204ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-116.2810)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157ILE-160CYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0624)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157MET-181ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.0610)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157MET-192ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157PRO-161VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7663)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157VAL-167PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9691)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158ALA-193HIE-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6142)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158ALA-284LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1730)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158ILE-164LYS-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158LEU-172THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.0078)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158VAL-169VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.4009)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158VAL-205TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9475)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ALA-197TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3130)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159GLU-170LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.9585)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-172TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3113)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-199LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6692)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-200TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2103)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-203PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PHE-206ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6047)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PRO-164VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3016)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PRO-178TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.1779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PRO-192ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7904)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159VAL-180LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8941)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160LEU-164TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160MET-169LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8276)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160PHE-169VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160PHE-203VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7568)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161ARG-285ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-85.4322)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161ARG-288ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.8179)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161ARG-292GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-117.4863)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161THR-194VAL-2', method='MP2C', mode='dfhf_SA', basis='adz', value=0.0554)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161TYR-201ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.9654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161TYR-204ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161VAL-170LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0800)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162ALA-174ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5638)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162ALA-175TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.9819)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-198PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9535)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-201LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-203VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5630)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-208ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.3492)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-284LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1866)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162PHE-168LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6910)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162PHE-207ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1508)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162VAL-167CYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6477)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162VAL-167TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3012)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162VAL-167TYR-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9337)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ARG-201LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0113)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ASN-166ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3396)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ASN-196ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-5.0457)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ILE-166CYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2961)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163LEU-171ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4236)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163LEU-175LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.1168)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-174ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.9043)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-178TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.1724)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-180LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8209)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-180LEU-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9961)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-183LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-6.0554)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-184VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8850)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-187GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=4.9664)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='164VAL-171ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7222)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='164VAL-225LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4183)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165ALA-292GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0358)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165GLN-224MET-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165LYS-169ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-111.0256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165PHE-169VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2027)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-168ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=3.8086)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-171VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-208ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6911)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-208ILE-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165VAL-177ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4086)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='166ILE-187ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3392)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='166PRO-171VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3978)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='166PRO-172VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1237)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='167GLU-187ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-115.0205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='167PHE-170TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.4270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='167PRO-170VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8775)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168HIE-180GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-23.8428)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168ILE-178VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168LEU-172ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.2359)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168LEU-211ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6679)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168TYR-203ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0247)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168TYR-224MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2564)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169ASP-172SER-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-17.2330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169LEU-181TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2144)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169LYS-172ILE-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.5928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169LYS-291ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169MET-184VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.1352)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170ALA-175TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0490)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170HIE-174LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0311)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170LEU-178LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170LEU-186TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0266)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170THR-180GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3259)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171ASP-176THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-15.8032)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171THR-180SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.7395)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171TYR-180PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=2.6781)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171TYR-231VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8866)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='172ASP-204TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-24.6175)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='172ILE-235VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4412)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='172TYR-193VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6413)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173ARG-234ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-114.5245)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173ARG-296LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=58.7914)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173CYS-269HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5585)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173CYS-270TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8042)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173LEU-190VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4408)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173PHE-176THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7563)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173TYR-211PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9546)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173TYR-213ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7984)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173TYR-245ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0973)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174ASN-178LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-23.6444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174MET-177ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9806)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174THR-205LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1179)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-203VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6778)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-205PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4083)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-270TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.0174)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-273GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-273GLU-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='175LEU-233ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1721)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='175VAL-268LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='175VAL-274ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-6.4791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ALA-195LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5396)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ARG-182GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-112.5089)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ARG-273GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-75.7119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ILE-198PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9620)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ILE-201ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3557)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ILE-205LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1126)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-204TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3799)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-208ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-208ALA-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3735)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-214PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3752)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176THR-180LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='177ASP-216GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=70.8096)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='177GLN-190VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9197)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='178SER-239ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-17.3352)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179ALA-225TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5045)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179ALA-238MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6022)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179ALA-250ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6555)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179LEU-239PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5539)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179TYR-216GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=4.9297)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179TYR-250PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.2687)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179TYR-258TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.8820)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180ASN-219SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.9750)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180ASN-229TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.1064)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180GLU-187ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-99.9543)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180GLU-189ARG-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-103.6107)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180GLU-194ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-113.4181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-184VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1742)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-209TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-10.2405)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-214PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3198)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-224ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5991)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181ILE-228TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9368)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181THR-195SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.3855)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181TRP-185GLN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6014)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181TRP-189SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6876)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181TRP-258TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.5407)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ASP-186ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-10.5455)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ILE-192ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5165)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ILE-239PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8265)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ILE-242LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3587)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182PRO-186LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1823)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182PRO-186LEU-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8814)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182PRO-189ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.5309)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-190LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1664)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-194ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6817)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-205LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.5731)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-209TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=2.4422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183TYR-186LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-14.3927)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184ASP-187ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-86.7571)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-205THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-209LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-225TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0636)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-228VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-238MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4602)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-255TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4439)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184THR-220ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3121)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184VAL-225GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3880)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185PHE-190LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.8336)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185TYR-220PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8686)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185VAL-224ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.1022)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185VAL-228TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0958)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186CYS-192PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186GLU-189LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-107.7836)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186LYS-191VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4100)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186LYS-191VAL-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1626)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186TYR-273GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=5.4718)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186VAL-208PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9680)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186VAL-223LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3554)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='187LYS-193THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3558)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='187LYS-193THR-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4999)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='188LYS-225GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-4.7969)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189THR-199LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.6771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189THR-205PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0179)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189THR-207GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-13.9886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189TYR-232ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1999)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='190ARG-235LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.8921)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='190LYS-193GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-107.3363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='190PHE-199LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0288)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='191LEU-219TRP-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0560)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='191TRP-229TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9803)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='192GLN-197VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='192ILE-242LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3643)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='192SER-269ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-9.1692)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='193HIE-248MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6436)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='193HIE-301MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4132)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194ASP-269ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-117.3052)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194ILE-205LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4801)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-198PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.4700)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-201LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4306)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-217PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4788)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-233ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4929)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-237ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2682)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-241TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.4996)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195ASP-241TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=6.8739)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195LEU-205PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7194)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195LEU-237ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2064)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195LEU-269ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.9188)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195PRO-198PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.4392)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-218GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=11.3022)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-221MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-249ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-249ILE-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0821)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='197TYR-201LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5174)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='197TYR-252PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='197TYR-284LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5764)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198ASN-201LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-205PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1499)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-217PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7924)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-284LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8092)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-287LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3715)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='199LYS-207GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-107.2789)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='200TRP-204ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.7161)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='201LEU-284LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5091)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='201SER-209ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6910)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='202TYR-212ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5091)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='202TYR-241TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4992)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='203VAL-291ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5641)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205LEU-212ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6801)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205MET-223ASP-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-5.4848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205MET-224MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205THR-209LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5647)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='206ASP-210TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-26.3369)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='206VAL-231TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.0383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='207PRO-216VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2027)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='208ALA-214PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='209TYR-214PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9371)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='210GLU-213LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-108.1383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='210TYR-216ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4385)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='210TYR-286TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6807)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='211ASP-214LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-113.1086)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='211PRO-245ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5979)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='212ALA-221GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0894)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='212ILE-243LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5490)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='212PRO-215ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7588)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='214ILE-217PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3557)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='215ALA-282PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4562)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='217PHE-234TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.9084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='217PHE-247ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8242)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='217PHE-249TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.2598)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='218ALA-249TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.1493)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='218ALA-258TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2772)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219SER-229TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.1012)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-222TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2123)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-222TYR-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-272ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6591)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-286TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9397)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-288LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.1372)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='220ALA-256THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5955)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='220ALA-286TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7941)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-226LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.8772)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-230LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-110.4066)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-231TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=8.2834)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-262SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-16.7923)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-263SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-17.3590)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-265GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=81.1081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='222ALA-249ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223ASP-286TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=5.6339)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223ASP-288LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.2617)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223ASP-289SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-17.9423)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223LEU-227ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=1.6664)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='224MET-229PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.2362)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='224MET-229PHE-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1969)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='225ASN-228ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='225TRP-228VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8078)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='225TRP-252GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.9356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-233LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.0096)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-247VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8642)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-294TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.1405)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-294TYR-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2754)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LYS-262SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-16.5922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='227HIE-255SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.9453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='227HIE-256LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9749)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='227HIE-289SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.5766)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='228ARG-232GLU-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-91.2790)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='228VAL-254THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=0.0110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='232PRO-290LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3529)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234ASN-237ASN-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2095)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-260LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6734)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-262VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2719)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-286TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7037)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-286TRP-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-2.2117)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='235VAL-294ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4455)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236ILE-258LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2354)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236ILE-260ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6499)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236PHE-262VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6023)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236PHE-279ILE-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6361)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236PHE-282GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237ILE-267ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1806)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237ILE-269ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.1545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237TRP-246PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6377)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237TRP-249ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.3421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237TRP-263ASP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2366)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='238MET-247PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.7100)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='238MET-255TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.9156)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='239ASP-244THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-3.2801)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='239ASP-271PRO-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-11.6515)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='240ASP-270SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-16.5360)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='240PRO-268LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='241ARG-272GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-90.7864)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='243LEU-269HIE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='244SER-294TYR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.0521)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='245ILE-250ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='245PRO-248GLU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.8854)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='248MET-298ARG-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-269MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4821)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-276ILE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.1924)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-297PHE-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.2511)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-300LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='250ILE-255TRP-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.6837)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='250ILE-255TRP-2', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.7802)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='251LEU-269MET-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.9935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='252PRO-258ALA-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.2004)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='253ALA-261THR-1', method='MP2C', mode='dfhf_SA', basis='adz', value=1.2584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='253ALA-302SER-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='255TRP-261VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-1.4819)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='258LEU-261VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.3764)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='261VAL-266VAL-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.0518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='264ILE-271LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.4964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='270SER-283LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6333)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='273PRO-283LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.8784)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='274ILE-279LYS-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.5379)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='275ASN-278LEU-1', method='MP2C', mode='dfhf_SA', basis='adz', value=-0.6632)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-005ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-61.3264)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-013ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=63.9954)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-015GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-79.9224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-159VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3903)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ASN-026VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4570)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ASN-030MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=1.6459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ASN-097GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-16.0174)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001HIE-099GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4325)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LEU-071LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5757)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LEU-154LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3999)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LEU-190THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3678)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LYS-027ASN-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=26.6564)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LYS-027THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4745)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LYS-027THR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=1.9249)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-005GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.0826)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-027VAL-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=3.6768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-031VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=3.1222)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-047GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.4736)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001PRO-046ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.8271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001SER-030GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.9786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ALA-101ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6687)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ARG-006GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-89.4921)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ARG-020PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7804)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ARG-046LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0063)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ASN-022GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-20.5720)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ASN-026ASP-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-7.6908)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ASP-145HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-6.4042)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-005GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4524)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-006GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7183)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-153PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3968)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-163LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3759)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-006GLU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7563)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-007ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-035GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-109.1140)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-075ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-22.1510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-080ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-082TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-8.2118)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002MET-031TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6837)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002MET-050ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7879)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002TRP-012VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4901)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002TRP-138SER-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-5.2549)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002TRP-139LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4317)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-009TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3917)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-042PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8158)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-042PHE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-043HIE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.9753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-046SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.0294)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ALA-007THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6068)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003GLU-006GLN-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=4.9069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ILE-062ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.1680)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ILE-065SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.7388)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ILE-067TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2727)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003LEU-033LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4282)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003LEU-054LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4799)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003LYS-055LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2347)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003PRO-025ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0482)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003SER-096ASN-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.7021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003THR-181VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003THR-182GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.1334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TRP-163PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.6994)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TRP-167GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2323)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TRP-167GLN-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0056)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-028VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9483)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-028VAL-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3663)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-030GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.3383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-054VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9152)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-056ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-073CYS-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.6642)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-074SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3819)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-096HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.3923)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-009TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0524)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-012GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.4060)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-036PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-064TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8161)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-081THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-083PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4708)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-118ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5107)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-121TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9505)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-024THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-14.9070)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-057ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7947)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-057ILE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.5991)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-095TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3799)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-095TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-5.7153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ASN-009TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.1776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ASP-043THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-15.4402)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ASP-194ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-101.3326)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004GLN-007ASN-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.8692)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004GLN-056GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-6.6416)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004GLU-039THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-15.3766)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-010TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-031TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0814)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-032HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-040GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.5268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-179LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4676)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-180LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.0731)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-180LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7520)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-183LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LYS-030ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.8266)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LYS-031ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7327)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LYS-323PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-116VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-135LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6505)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-158LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6080)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-160PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6186)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-007LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8249)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-009TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.8886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-026TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.1007)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-029PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.9667)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-068VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3455)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-074ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9102)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-094LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9741)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-096TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0662)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004SER-027VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4048)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004SER-030MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-078LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2945)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-132LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-12.6854)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-163LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2101)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-164GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-14.9591)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TRP-014ARG-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3511)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TRP-016LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.1828)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TYR-075PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0229)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TYR-105LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1690)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004VAL-053LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.4532)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ALA-019PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3435)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ARG-012GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-105.7450)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ARG-071GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-94.6588)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ARG-158LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7374)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ASP-103GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-11.9010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ASP-128ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-99.5870)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ILE-054SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9641)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ILE-234TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6463)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ILE-277LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.0551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-010TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8409)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-011PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0600)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-015LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7511)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-023GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6835)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-025ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-025LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4537)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-030ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0099)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-030LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7419)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-032MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5474)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-037ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4574)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-068ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5281)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-077LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3217)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-083HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0699)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-106TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-191TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9034)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-022VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-031TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-037PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3741)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-043TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.9963)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-049LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-050TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.6930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-155SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4382)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-162GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5686)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-163LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PRO-196ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9763)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005SER-028VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4174)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005TYR-166TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.8061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005TYR-168VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4993)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-008GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.2421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-023LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2320)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-035PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.0839)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-037ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1315)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-039SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.2099)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ALA-078GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4926)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ARG-090TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.4587)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ASP-010THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=6.4590)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ASP-116VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006GLU-010TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.3759)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-108PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-126VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4620)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-319TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-323PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7862)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-018ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-6.2545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-039THR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4845)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-050VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4828)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-053LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8060)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-061PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.5120)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-163LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006THR-097VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006TRP-026TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006TRP-038VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006TRP-040LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7740)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-020VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6183)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-023MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4031)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-024ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5454)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-026LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-038ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.0094)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-053LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5226)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-055GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7255)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-175PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.5123)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ALA-011ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8432)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ALA-021PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8129)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ALA-049VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ARG-011GLU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-101.3842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ARG-062TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ARG-063PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.3179)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASN-109GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-18.2966)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASP-011GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=7.4118)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASP-119SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-5.3708)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASP-131ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-109.0060)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007GLU-033LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.2531)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007GLU-033LYS-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-99.2781)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-015LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7114)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-030LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1749)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-030LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-038TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5322)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-042LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.0883)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-097VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-017ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-026VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.5342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-033LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4095)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-090TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1587)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-096TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9515)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-168HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4291)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LYS-011ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-111.7960)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LYS-093SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6435)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LYS-099THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3866)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-019VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5403)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-021PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.5001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-021PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2636)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-022VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-024VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.2436)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-035PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0977)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-084LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6276)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-091ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4086)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-111PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8697)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-157ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3729)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-160CYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007SER-010ARG-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-7.5973)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007SER-100ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.7903)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007THR-031LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.0315)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007TYR-053TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.8224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-022SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-026GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2904)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-034ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-038VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5625)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-040THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2373)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-154GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4365)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-154GLN-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7942)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-191TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8712)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-248MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2862)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ALA-034ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.0923)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ALA-035GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.2538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ALA-038MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3869)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ARG-115SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-14.3350)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASN-030LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-23.5447)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASP-018ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.4107)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASP-018ARG-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-109.8034)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASP-058ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2571)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-012HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5504)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-015TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8839)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-032MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-033PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9852)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-034LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.0690)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-035TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0235)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-041TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9511)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-058PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-062TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1117)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LEU-017ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3709)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LEU-088TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9980)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-043THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-13.9722)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-065VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4073)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-068GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.6541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-068GLU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-104.8654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008MET-158LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.0275)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-042LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7435)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-044ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-097VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6508)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-099HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0475)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-101HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.3787)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PRO-183ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-12.7156)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008SER-032SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.6169)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008SER-093TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TRP-035PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.0851)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TRP-250PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.7706)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TRP-252GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-19.8072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TYR-052TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5751)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-039TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7587)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-041VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2214)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-066LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.0942)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-072SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.0008)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-080PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ALA-084LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3131)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ALA-091ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.0110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-023GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-94.8308)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-031TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-10.8637)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-092LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0610)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-103GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=5.5401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-106ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-88.2499)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-128ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.2637)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-128ARG-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=60.0770)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ASN-024ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=10.1389)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ASP-021LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.3663)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009GLN-068ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7986)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009GLN-072ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7784)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-013TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-038LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1850)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-052PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5409)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-092LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7086)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-092LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4312)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-105LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4908)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-108PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7112)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-155ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-013VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5365)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-033LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3508)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-039ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4348)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-041VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5649)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-041VAL-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2511)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-055SER-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6388)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-058ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5354)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LYS-137LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.3043)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LYS-171VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6849)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009PRO-069TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8132)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TRP-111ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-10.3514)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-016GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=5.0384)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-029THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8718)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-033ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.1099)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-035SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8957)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-050PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.0563)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-053TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.3148)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-111ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-21.8955)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-121TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.4316)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-158ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.4158)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-301MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0885)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-303TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.1328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-021PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6766)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-025ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2657)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-035ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-084ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2086)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-086TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1378)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ARG-039ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-99.5244)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ARG-042ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-89.5683)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ARG-092LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8013)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASN-014GLN-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-5.1504)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASN-023GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-22.0409)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASN-088TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.1993)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASP-090TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-23.6873)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLN-022MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6688)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLN-102TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=1.0481)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLU-014LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-67.3150)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLU-032SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=11.5025)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010HIE-015TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4413)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010HIE-023ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010LEU-091ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5672)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010LEU-096TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010LEU-132ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010PHE-028ILE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3458)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-022LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-025VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0782)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-032ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-032PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.5699)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-034VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8346)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-052TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0594)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-058PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-081VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.2047)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-081VAL-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.2452)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-017GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=4.1187)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-049PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0585)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-052TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.6797)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-163TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1439)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-027ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4891)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-028LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-034TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7231)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-040PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5374)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-044ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1550)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ALA-016GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6878)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ASP-091ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-17.2080)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011CYS-042VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4484)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011CYS-042VAL-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6366)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011GLU-062TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=3.6394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011GLU-100THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-8.2723)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011HIE-015ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=2.5534)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011HIE-304SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=2.7275)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011HIE-306ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.1904)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-017LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1689)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-018ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-024ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4499)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-024ILE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2500)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-028LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.0349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-037LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.1243)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-038TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-042LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-045VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-062HIE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-069TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7924)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-071GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-102TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5535)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-102TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3563)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011PHE-044TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011PRO-020ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.0779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011SER-223GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-17.6413)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011THR-017ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2586)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011THR-166GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.0163)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011THR-166GLU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-15.7013)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-018ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-7.3589)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-023ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-7.3029)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-051GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-10.1882)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-102GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.4222)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-169ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0915)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-144PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-153LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-153LYS-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5290)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-155ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.0564)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-055PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4038)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-059PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8070)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-108PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7947)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-139ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5025)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASN-048PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0200)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASP-024LYS-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-76.9150)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASP-026TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-7.0908)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASP-069TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=4.1717)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLN-034GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-6.0517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLN-044TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0259)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLN-048TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4076)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-017GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7944)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-019THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-16.0551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-068HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=13.0731)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-070TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-5.0266)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012HIE-015ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2345)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012HIE-033LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5722)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-016THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4937)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-018LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2973)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-028LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.0408)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-044ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6811)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-046LYS-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.2480)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-046VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2568)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-024VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-027PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-033LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.0388)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-035TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1389)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-039ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5077)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-047ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2647)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-057LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2733)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-062HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5586)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-064LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6168)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-065LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3419)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-070MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-074VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.0848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-083ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9445)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-085ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-088TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-026PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.5750)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-040PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3920)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-116PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1192)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-163ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-166CYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9336)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012SER-138SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.4342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012SER-166PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3746)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012TYR-087PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.7051)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-016LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-023LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-088PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9103)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-114PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8826)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-146PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8183)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ALA-096TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.2053)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ASN-149ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-6.6913)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ASP-016GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=63.3120)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ASP-023ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-115.9516)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-039ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-90.3677)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-052ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-056GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-21.0129)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-065LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.0990)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-069ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-113.7701)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013HIE-032ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3047)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013HIE-095HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.1242)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013HIE-121TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-9.6504)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ILE-017LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6320)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ILE-105ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2903)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-017ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.1338)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-063ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4564)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-065PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4473)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-066ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2505)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-069LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-077LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.0607)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-082VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-084ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3652)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-036VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6577)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-060TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0823)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-062LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-063PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4315)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-083ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-085ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5889)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PRO-032VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.2188)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PRO-034GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3380)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PRO-129THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013SER-047TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0200)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013THR-164GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.7706)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013TYR-075LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013TYR-075LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3741)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-016PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3773)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-066LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-154ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-154ASN-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9185)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ALA-055LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3933)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ARG-083THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=3.3225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASN-027ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8447)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASN-061LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-23.6846)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASN-137TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.8571)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASP-017ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-80.3639)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLN-093VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.0898)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLU-036LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-119.7890)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLU-069ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.4262)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLU-164TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-25.0731)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014HIE-043TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1372)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-025TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6085)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-027ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1806)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-081PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-085ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-088MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6570)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-061GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2388)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-070TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-163ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-174PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7645)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LYS-023GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-122.5214)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014SER-017GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-14.6312)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014SER-084GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.0340)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-019GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.0463)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-021PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4437)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-022LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2109)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-022LYS-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6241)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-082PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.5335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014VAL-091ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3206)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ARG-020ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-98.5745)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ARG-164ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2924)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-019THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.4206)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-048GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-6.3215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-069ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.6007)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-149PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015CYS-057LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015GLU-019LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-104.7359)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-019PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-023LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2452)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-030LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7135)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-034LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3009)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-035ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4470)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-136HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.0243)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-035TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7629)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-038LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3736)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-080PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4908)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-084TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9669)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-102SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.8353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-047TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1879)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-047TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-12.6785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-220ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-106.2335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-223GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.0678)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015MET-023LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7516)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015MET-023LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7438)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015PHE-039ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6971)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015PHE-044LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3229)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015SER-018THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.2008)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015SER-037LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-019ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4188)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-021MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6653)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-060HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-8.0994)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-061GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.9043)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015TRP-025THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9876)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015TRP-096TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.4870)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015TYR-034ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5755)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015VAL-060TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ARG-047PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.1507)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLN-048ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3151)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLN-098LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLN-101GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.9139)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLU-035TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.3471)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ILE-021VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ILE-145LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ILE-219PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6236)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-036LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.0564)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-046ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1102)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-062LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.0868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-065LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2397)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-072PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.1014)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-082SER-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.8137)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-137ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-141MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6752)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LYS-085GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-105.1289)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-034VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5577)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-036VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-132ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7600)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-176PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.2513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-192LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.8288)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016SER-031ASN-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.4729)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016THR-022MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9984)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016TYR-079ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3305)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-033THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-055PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-059PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-084ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ARG-056HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-8.3783)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASN-021LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-17.6419)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASN-029ASN-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-6.0025)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASP-049ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-76.6501)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASP-060HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-7.5236)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLN-024ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-7.4053)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLN-093VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.8165)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLN-094ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-24.0393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLU-036TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.0584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLU-072PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.5364)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017HIE-033ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-19.7433)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017HIE-035TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-5.6876)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-021LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8138)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-028LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5738)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-028LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-030PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6636)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-055HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.3809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-149PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.1612)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-050ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2563)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-056PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-066LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.5990)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-083ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5694)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017MET-020LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0923)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-022SER-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.7705)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-025TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5892)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-077ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-7.0224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-081PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.1899)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-084LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2607)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017THR-078GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-13.4984)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017THR-307TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017VAL-049LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5283)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ALA-023VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1600)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ALA-026GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.7149)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ALA-027VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1819)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ARG-057THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1852)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ASN-227ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8091)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ASP-032THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-18.3915)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ASP-034ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.6777)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018CYS-132HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.7460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018GLU-074ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6845)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-022GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1290)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-052VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3490)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-055ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-055PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9246)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018LEU-039ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=2.1497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018LYS-024TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.1769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-060HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3249)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-085GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3113)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-086VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-139LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6374)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018SER-024LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018SER-040GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-16.5069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018THR-035ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1610)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018VAL-034ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4655)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018VAL-164TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3012)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018VAL-166ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6630)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ALA-055HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2835)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ALA-058TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1921)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ARG-027ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=60.5588)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ASN-053VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7375)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019GLN-026GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6315)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019GLU-022LYS-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7944)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019GLU-025THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-15.6971)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ILE-051VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5151)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-037ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-041VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6590)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-061ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4372)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-062LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6684)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-062LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LYS-027VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4634)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LYS-031HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LYS-071GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-115.1916)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019PHE-049LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6273)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019SER-023ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.3789)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019SER-023ARG-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-5.6318)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019SER-026ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-13.5225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019THR-022MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8756)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019THR-035GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7840)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019THR-035GLU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.5319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019TYR-050TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.1898)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-027ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4956)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-058VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.0748)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-075LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-081LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3482)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-137ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.0175)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-138VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.1528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-138VAL-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ASN-039LYS-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-24.5331)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ASN-040LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-23.2014)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ASP-082LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-78.9116)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020GLN-036TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.3933)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020GLN-059ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5437)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020HIE-062ASP-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=10.9496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020HIE-068LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0508)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-023VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1637)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-032THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4752)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-082ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2874)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-309ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LEU-024VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6404)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LEU-038ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1341)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LEU-042VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=1.5072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LYS-040GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-120.3833)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PHE-135PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0531)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PHE-149LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9726)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-023ARG-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=1.2079)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-177PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-178LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-181ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.2911)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020SER-058VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.4233)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020SER-091ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3030)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020VAL-029TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ALA-039TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5396)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ALA-057VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0688)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ALA-100ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ARG-033THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2990)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ARG-035GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.0754)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ARG-035GLU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-90.4005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021GLN-024LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-21.8337)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021GLN-024LYS-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0395)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021GLN-057TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7172)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021HIE-061PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.8080)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-031HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2432)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-036VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-038VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0002)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-041PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2996)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-077LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.1822)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-088ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6077)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021LYS-032TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-11.1942)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021LYS-039ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6080)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021MET-058TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.4794)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021MET-062GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6118)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021MET-069ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9783)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-025GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.8238)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-038VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4056)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-054ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6944)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-060PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7160)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-072PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.5600)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-072THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-076VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9874)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-079ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8191)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-082PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.4083)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-097LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.0498)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-097LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5179)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-113ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.3113)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-131VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7669)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-251HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6129)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-260ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021SER-142ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021THR-148GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.1692)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021THR-150LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4537)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021TYR-088PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.2057)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ARG-072GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-104.7046)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ARG-073GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-87.1452)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-028GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=2.6378)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-046MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.4174)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-055ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=9.8218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-058GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.4004)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-147TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.5411)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ILE-072HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8901)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ILE-074ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=2.1220)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-057THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6915)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-058PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1071)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-062ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6186)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-065LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4209)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-081LYS-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6347)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LYS-086ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022MET-041VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5915)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-027ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-031ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2853)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-039TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-040ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-041PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6182)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-064VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8602)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-069VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-069VAL-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3795)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-099ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7965)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-166ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0638)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-168TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.4375)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022SER-121LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-026THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5323)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-039TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.9139)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-040TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.2484)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-043ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6704)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-055LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7949)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-059VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9002)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022VAL-067LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3404)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022VAL-079TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022VAL-079TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8572)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ASP-027ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-104.7534)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ASP-042ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-118.7059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ASP-057ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-113.7369)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLN-177PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5728)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLN-217THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-5.5714)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLU-028LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.9172)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLU-046LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-108.7282)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ILE-060PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3520)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-035PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7751)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-035PHE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7465)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-036ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8443)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-055ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2962)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-097LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-029GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-79.5175)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-029GLU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.9945)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-064TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-7.4810)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-064TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2045)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023MET-038ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7117)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023SER-051ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=2.8675)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023THR-085ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1311)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023TYR-026LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4755)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023TYR-031TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.0872)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023VAL-041ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.0026)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023VAL-055LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5727)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ALA-034ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1466)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ARG-073ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-15.8683)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ARG-076GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-107.6467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-027ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-23.8332)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-027LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-029ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5152)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-034TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.6464)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-056PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5832)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-058TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.0248)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASP-065HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-25.7425)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024CYS-100ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.2596)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-040HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-24.5530)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-041LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7986)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-050ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.9790)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-054ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-103.7147)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ILE-055TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7548)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-028GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4435)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-028GLU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.2524)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-029GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.8984)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-031LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9172)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-032VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4009)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-054VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4558)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-260ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0143)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-261ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9643)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LYS-057TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9339)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LYS-069TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7479)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LYS-069TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-9.0930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-089LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.2573)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-089THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1168)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-099TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.9646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-100SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5019)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-130LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2168)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024SER-038THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=4.6036)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024THR-041GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.4553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-032HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0655)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-049ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4549)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-054PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6622)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-079PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.9362)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-142VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2239)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-143GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ALA-035TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7186)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ALA-037ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4726)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ASN-181ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-6.8860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ASN-183THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-5.3947)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-029LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-036THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=1.3369)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-039TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.5893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-260ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5202)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-274ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8573)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-028VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3568)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-036VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4775)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-056LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1739)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-059ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7929)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-084ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.4617)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-084ILE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2483)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-090ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3624)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-091VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3024)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-055VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2772)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-060PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-075ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6176)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-075ILE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025SER-035ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.0462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025SER-075ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=4.5338)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025SER-100ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0125)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025THR-045THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.9890)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025THR-100TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1241)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025THR-103LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-16.4694)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-038MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5808)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-135ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0051)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-144LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7406)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-146PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.9567)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-152GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-21.5070)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TYR-080ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6038)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TYR-081PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7413)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TYR-084LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3266)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-029TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7417)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-057VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5409)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-069ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5455)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-083GLU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3364)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-185ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5617)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASN-054ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-6.6489)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASN-055ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9439)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASN-058GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-15.2462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASP-042PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9641)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASP-077PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.2551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLN-065HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6816)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLN-065HIE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLU-042HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=14.5575)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLU-057TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-23.1753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLU-059ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-97.5208)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ILE-037TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9891)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ILE-078ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2327)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-037PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4714)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-039ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5165)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-040GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.8054)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-041VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-135ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-029PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.3182)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-099ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5412)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-103HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.7528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-168TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-030TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.8316)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-036PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5764)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-118ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9097)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-217THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.7429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026THR-031LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2822)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026TYR-062ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7859)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026TYR-069TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.3508)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026VAL-041GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.8984)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026VAL-041GLU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.9382)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ALA-074LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6788)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ALA-102ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1143)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ARG-049GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-95.4648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ARG-055THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ARG-094ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-96.2135)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ILE-039THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4521)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ILE-046PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4532)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ILE-075LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3977)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027LYS-089LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5499)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-030ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3666)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-057VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.8691)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-069SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-071VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6376)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-078GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.1724)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PRO-032MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8279)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027SER-034ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027THR-036SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-5.1078)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-070TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.1833)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-085ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3838)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-086TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-088ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.3022)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-090THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3287)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ALA-038VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.0338)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ALA-041VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.0997)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ARG-031GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-16.7033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028GLU-072HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-23.5461)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028GLU-097LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-112.9006)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-036LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4302)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-091VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2175)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-106VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=1.1159)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-151VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6810)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-037VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5559)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-055LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0487)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-058ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7098)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-059ARG-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5325)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-061GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-133PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LYS-067TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.3245)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LYS-317ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-19.7361)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028MET-031ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.4746)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028MET-037ARG-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5230)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028MET-040HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.1196)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028PRO-058LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028PRO-111LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8379)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028SER-055THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.9859)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028SER-056GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.2005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-031THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=3.0458)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-036MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=2.1531)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-038VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-058PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.1785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-085GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.3666)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-086ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.2405)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-105PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-128PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.0567)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-170LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.3027)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ALA-274ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5452)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ASN-034LYS-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-25.9904)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ASN-179SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.4844)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ASP-070ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=83.0552)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029GLN-033ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=5.2706)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029GLU-045LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0718)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029GLU-055SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-17.6009)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-034VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-036PHE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.8796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-040GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-045GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8651)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-095TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2434)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LYS-035GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.2103)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-094LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7463)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-101TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-103HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1713)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-168TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-177ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9003)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PRO-085GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-9.7493)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029THR-121TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029THR-121TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.8000)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-302SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-305ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.4300)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-308ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-8.7219)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-315PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.8208)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TYR-049GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0997)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029VAL-036VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4017)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029VAL-054LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.0910)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029VAL-087LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.1205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ALA-274ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6628)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ASP-320ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-99.7884)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLN-034TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLN-034TRP-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.3545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLN-036MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2146)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-033GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-14.8456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-034ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=67.7112)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-038PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9115)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-042PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7587)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-049PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-5.1332)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-061LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-113.6040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ILE-034LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4857)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ILE-055ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=1.6754)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ILE-093TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9573)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LEU-034LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3958)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-078TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-7.0852)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-083GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-117.7189)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-085GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.2895)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-169THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-15.4905)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-042LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6657)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-044ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6297)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-061GLU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1657)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-151ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.3849)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PRO-057MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.0466)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030SER-109GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-16.4871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030THR-121LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=1.2010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-033THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2105)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-036PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.8050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-042GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-20.5231)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-046LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.4594)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-073PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9106)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-079LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3609)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-103PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.2218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-171THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-176SER-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-5.5259)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-212GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-17.4882)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-213GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.6776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-216SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0713)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-217THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9730)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030VAL-033VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.1668)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030VAL-044LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3168)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030VAL-050ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ALA-088VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1434)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ASP-034HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=21.9991)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-035LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6371)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-037SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-5.3648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-109LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3276)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-125LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-128GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-14.0427)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ILE-034ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3863)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ILE-097TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9757)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ILE-246ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.0520)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-091LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1684)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-125LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4331)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-168LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5821)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-213GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.9908)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-060THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6109)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-061ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9873)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-062HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1373)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-076ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4461)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-092TRP-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0228)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-095TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.2197)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PRO-097VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2288)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031THR-085GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-16.2213)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031THR-128PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-060ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-22.9788)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-164VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7593)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-168GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.1153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-168GLN-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.8386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-171ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TYR-037PHE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.5649)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TYR-048HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7222)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TYR-051GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-056PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7617)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-068LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-071VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4889)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-073VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4923)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-077ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9160)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032ASP-040HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.4243)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLN-116ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-20.5227)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLU-035ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-113.2575)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLU-169THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.0463)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLU-169THR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-16.0541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032ILE-036GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5712)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032ILE-065LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=1.0633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-080GLU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-106.2007)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-083LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7206)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-091LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.4537)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-091LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3643)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032PHE-058ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.1185)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032PHE-081VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032PHE-095LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032SER-057GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-14.6386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032THR-093LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032THR-094LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7442)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032THR-128LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2178)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-062ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4797)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-073PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.6034)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-074VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8089)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-083ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-7.1134)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-042ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.7619)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-052VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0511)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-056HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-068LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3752)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-080ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.5124)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-100VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.0955)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ARG-189PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.9993)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ARG-191LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4956)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ARG-191LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.9781)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ASP-276SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-16.6120)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ASP-279LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-120.4681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ASP-279LYS-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.4532)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033CYS-047TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.0566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033GLN-092ASN-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-7.0902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033GLU-036ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-114.8680)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033HIE-060MET-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0302)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033HIE-062THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=5.7823)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ILE-037ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7524)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ILE-061VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5896)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-053VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4717)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-059ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7672)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-061PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9006)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-089ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6226)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033PHE-058PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033THR-100GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.4744)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-062HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7129)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-091ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-7.0786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-094ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2198)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-094ILE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033VAL-048ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6875)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033VAL-055VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033VAL-091ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ALA-133LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ALA-152GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.8538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ARG-060TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-14.8566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ARG-064LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASN-076SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2123)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASN-078TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.0321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASP-037PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6711)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASP-061ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-81.3726)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034HIE-057HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ILE-037TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LEU-038TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9138)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LEU-044TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2718)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-068GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-107.5187)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-070TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9127)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-070TRP-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-086TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1977)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-086TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-6.4321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-045TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.3195)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-058CYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6622)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-062HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7913)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-069MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7961)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-072LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-100VAL-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.1455)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PRO-065ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5906)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PRO-075PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034SER-105LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TRP-037TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.7321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-136ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0173)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-143MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.6812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-148VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3669)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-277TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.8896)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-046LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-048PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4857)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-072VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3208)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-077LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1464)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-111LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7711)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ALA-065LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6993)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ALA-067ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.8857)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ARG-041THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-12.4815)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ARG-042VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6810)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ASN-172GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-10.0888)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ASN-174TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9684)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ASP-046ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-97.5595)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035CYS-038CYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=3.9130)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035CYS-154THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.2069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035GLU-189PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035HIE-059ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8977)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035HIE-059ARG-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-5.2506)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035HIE-061ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0132)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LEU-061PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7515)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LEU-085LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3669)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LYS-083TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.0590)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LYS-090GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-5.4724)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-047TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.1699)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-062THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.6234)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-097LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2493)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-111PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.9041)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-128PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.1492)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035THR-112LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6259)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-045HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.0432)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-058PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.5301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-064ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7107)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-157VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2272)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-161LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-15.9678)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ARG-042GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-108.1916)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ARG-162GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-17.8820)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036CYS-039CYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.9596)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLN-040HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.9915)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLN-105LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-039ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-116.6624)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-039LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-112.3925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-045LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-053VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-056ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-81.0662)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036HIE-063LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ILE-040THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4969)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ILE-061ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5683)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ILE-063TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4625)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-039MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7992)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-041ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2509)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-046PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1051)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-046PHE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2976)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-047TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7506)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-098ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5167)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036MET-049LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.1654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036MET-054VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=3.7851)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036PHE-075SER-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.9218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036PHE-113ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.8865)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036PHE-303TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036SER-069THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.1257)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036THR-090GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-18.2099)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036THR-104MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8360)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036THR-133PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036TRP-047PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9959)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036TRP-049PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5772)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036VAL-060TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036VAL-070TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.1284)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036VAL-086TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ALA-056ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2909)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ARG-152GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-117.0695)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASN-040THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=3.5980)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASN-067GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-5.5855)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASP-040ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-78.8865)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASP-064TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-17.9425)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037HIE-050GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-23.6841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-116PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5932)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-125LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6719)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-162PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5524)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-165VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1875)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037LYS-162PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037PHE-048HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5810)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037SER-043ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-5.9736)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037THR-053ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=1.1338)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037THR-085LYS-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=1.1320)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-050ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.3626)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-053LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-055LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-14.2083)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-055LYS-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-046THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7542)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-050LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.3595)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-066LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8337)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-068VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ASN-199LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ASN-202PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.6991)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038CYS-095PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038GLN-042ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-20.8413)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ILE-085ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ILE-094LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.3400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-045PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6883)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-047TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4108)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-054LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-109SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4987)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-109VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.0195)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LYS-047PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.9771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038MET-041LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3206)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038MET-146PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.1645)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-042PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.8845)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-042VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7773)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-046ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0521)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-049PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-061VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4540)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-061VAL-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1587)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-101PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PRO-108ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038THR-053PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6395)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-063TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.1764)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-065PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.2265)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-068TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.9398)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-073ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4229)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-078ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-081TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.2545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-082ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1284)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-132ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9068)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TYR-060TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.4357)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-041VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.0782)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-072PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-082PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6846)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-083ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.0049)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ALA-095PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.9768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ARG-043ASN-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=5.3686)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASN-042ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-20.9655)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASN-081SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2900)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASN-083TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8031)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASP-057THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-15.7870)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039GLN-047ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-15.5106)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039HIE-057HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=9.4515)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-054LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8773)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-055TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8830)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-108ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-109CYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=2.8319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039LYS-043HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9164)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039PRO-165PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.9391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039PRO-166ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3290)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039PRO-199LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.0301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039SER-054GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-16.4764)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039SER-067GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-17.3251)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-046THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.4030)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-077LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1721)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-079LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-083VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2355)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-052SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.4391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-064VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0434)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-066LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7407)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-066LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0589)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TYR-043ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=1.4018)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039VAL-083TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6476)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASN-073PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASN-077TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9490)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASN-090ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-9.0886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASP-065THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=2.4795)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040GLU-045GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-18.0183)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040HIE-103HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-9.6216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040HIE-105LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ILE-054VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3124)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ILE-057LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4700)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040LEU-063TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9193)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040MET-085ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=1.1627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040PHE-052TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.1221)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040PHE-116PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.1110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040PHE-133PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.3691)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-044TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1984)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-048VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6607)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-162GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5725)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-186TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3495)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-270TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5290)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-052GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.0920)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-055LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-121ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.1096)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-121ILE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3089)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-122THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.2378)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-045TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.2678)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-055VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8137)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-076VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-079ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4006)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-082PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9000)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040VAL-063VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2295)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ALA-047TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.1742)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ALA-081GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8950)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ALA-121ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2564)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ARG-051PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.1035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ASP-084ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-91.9995)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041GLU-045LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-106.5026)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-058ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.5549)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-061PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-107PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2200)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-107PHE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2666)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-146PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4801)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-155PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6631)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-162PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7557)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-170TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4238)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LYS-045GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LYS-107PHE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0891)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LYS-110SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-18.2859)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-047SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1552)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-054HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.0896)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-073ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4614)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-077LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7707)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-094LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-6.2395)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-094LYS-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.8591)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-104VAL-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041VAL-059LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5752)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041VAL-064LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.0227)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ALA-082ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.0439)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ASP-045THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-18.1364)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-095PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.8160)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-101PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.9350)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-103PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-6.2867)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-121ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.4521)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ILE-049PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ILE-052PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4622)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ILE-056PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6751)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-047ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3876)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-048ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8241)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-048VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7062)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-103HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-105LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3837)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LYS-049GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-121.7027)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-049PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0720)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-054PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7828)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-056SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-061LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5505)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-064LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1605)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-074LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.9426)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-077PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6065)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-085PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6222)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-087LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-088ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.3408)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-089ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0185)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-089MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6765)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-092TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.5553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-101VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042SER-058ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9285)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042SER-062ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=4.5870)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042THR-052ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.8452)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042TRP-049ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-11.8197)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ALA-073PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ALA-077TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8971)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ASP-054HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-24.3526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ASP-058ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-117.4330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ASP-062TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.9537)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043GLU-104ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0134)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ILE-055LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.2761)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-050PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-055THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-071PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6917)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-114SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3079)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-161TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.8280)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043MET-048ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2016)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043MET-060VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6047)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043PHE-065PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043PHE-068TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.8475)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043PHE-073PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1032)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043THR-059LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2932)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-048GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.4223)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-049THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0235)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-068LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-185HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.0260)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-186TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.1864)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043VAL-066LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1665)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043VAL-069VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4952)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ALA-052ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8959)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ASN-048THR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.8800)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ASN-059THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.3079)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044GLN-061LYS-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-27.1163)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044GLU-084ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-94.0288)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044HIE-067HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.6540)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044HIE-073TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.3218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044HIE-086GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-24.6848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ILE-101HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2128)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-079VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2594)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-101ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-272GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-272GLN-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7691)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044MET-061VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6071)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044PHE-048LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0483)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044PHE-130VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.8553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044PRO-053ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.5074)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044SER-093ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-13.6742)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044SER-118ARG-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-10.2469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044THR-118TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0135)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TRP-048TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.4917)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TRP-085PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.5695)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TRP-147TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3298)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-048LYS-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-15.2641)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-059ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-077LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2914)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-109LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2620)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044VAL-174MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045ALA-054HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045ALA-071HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0104)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045ASP-081GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=90.4349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045GLN-062LYS-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-23.1901)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045HIE-051GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-22.8417)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045HIE-053ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.9263)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-049GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.0909)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-049TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.3451)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-054PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9191)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-055ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.5712)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-070PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9651)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-097LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7503)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LYS-048GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.1417)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LYS-084GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-71.8864)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-057GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-7.0917)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-061VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2448)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-066PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-075LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-9.9348)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PRO-080VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PRO-100VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3896)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-048ALA-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-066VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-097SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2880)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-168LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9690)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-048ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7803)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-049ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9918)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-100VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7728)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-272GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.3855)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TYR-053THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7197)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-050ASP-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-94.7496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-092TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=1.5812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-182GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-76.3121)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-273GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-112.5504)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ASP-083ASP-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=55.6987)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ILE-071GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4578)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ILE-074LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=11.5603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046LEU-068ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3404)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046LEU-103PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8775)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-050LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.8596)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-084LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-088MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5965)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-107PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.5872)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-119GLN-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8112)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-121LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3865)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-161TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.1394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PRO-140ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2323)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PRO-141ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6546)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046SER-054PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.9024)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046SER-088ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-5.7300)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046THR-069ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.4623)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046VAL-094PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7515)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ARG-050GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-81.3192)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ARG-059MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9247)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ASN-062LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3299)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ASN-276PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9324)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ILE-064LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047LEU-055LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1082)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047LYS-059ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-112.8808)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047PRO-164TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7647)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047SER-065PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7908)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TRP-081GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-9.2035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TRP-083TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7992)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-052PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9488)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-053ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=1.9958)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-055ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6662)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-058TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.8282)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-075ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7162)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-077HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5016)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-111PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4029)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-136TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=3.2298)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ARG-060MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2532)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ASN-052ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.9464)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ASP-081THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-18.1169)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ASP-131LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-114.2478)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048GLN-070SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.2425)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-052PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3482)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-091ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-5.8138)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-099HIE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.7138)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-174MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.2749)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-178ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-25.1668)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ILE-052ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ILE-272GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7414)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ILE-279ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8509)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-070PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9672)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-070PHE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-074TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6547)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-074TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4312)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-077GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-141PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LYS-082ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6585)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LYS-098GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-109.0617)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048PHE-058PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7212)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048PHE-101LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5537)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048PHE-105TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7026)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048VAL-093THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.0002)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048VAL-095LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4859)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048VAL-099ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5544)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ALA-092TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0402)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ARG-167GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-20.1148)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049GLU-080ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-91.8097)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ILE-059ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.1784)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ILE-070PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9060)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ILE-100VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5102)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LEU-054VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LEU-107PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4709)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LYS-121LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7661)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LYS-158ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-6.1593)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-056PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5299)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-057GLN-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.8449)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-091ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0188)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-093VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.4988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PRO-052TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8029)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049THR-053LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5629)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049TYR-054PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1728)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049TYR-098GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=4.0142)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049TYR-102ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.1664)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-053THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-124GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5811)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-127LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0337)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-131VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5327)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ALA-081PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9361)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ARG-054THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-11.9411)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASN-083TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0789)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASP-053THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-17.2565)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASP-067PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASP-092TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-23.2637)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050GLN-055TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-5.1686)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050HIE-065PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.0284)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050HIE-087TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-9.4958)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ILE-053ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4228)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ILE-071PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6488)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ILE-079VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.1037)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050LYS-056GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-110.7641)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PHE-071PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2309)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PRO-053TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2835)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PRO-058PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PRO-096TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.8921)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050SER-066PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050THR-143THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.0534)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050TRP-054GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-6.0175)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050VAL-054THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=2.1492)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051CYS-154LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-7.7216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051CYS-156THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=2.4758)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLN-089GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.9934)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLN-089GLU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-23.6768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLN-098TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0666)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLU-056MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2472)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLU-056MET-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.7355)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051HIE-277ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-23.3756)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051ILE-068LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-055ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.7071)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-080ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7834)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-096TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6169)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-131LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8572)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-058VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2299)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-091ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-5.4888)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-091ARG-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5354)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-175PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0180)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051THR-152PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-093VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3475)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-095LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5845)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-097ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-6.6155)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-097ARG-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.2277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-107PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.8758)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051VAL-071ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5672)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051VAL-104ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3811)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ASN-061ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-6.1672)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ASN-143THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=1.8604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052GLN-069ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-9.5557)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052GLN-117PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ILE-056GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0578)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ILE-087VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.5219)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ILE-100VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.0003)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-060LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4192)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-062PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-062PHE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-070PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7397)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-141PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1877)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-152PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-056MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.8200)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-061CYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1849)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-071PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1212)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-073THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1625)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-075ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1792)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-111PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1499)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-141MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.2559)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-148ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8602)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-157ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1917)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PRO-109LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4905)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052SER-063PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9267)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052TYR-058PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6425)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052TYR-061ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-23.7974)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052TYR-116PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6482)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052VAL-057SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ASN-063SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.1783)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ASN-131VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2397)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ASP-058TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-066LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.1242)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-069PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0813)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-075LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.0082)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-077LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6014)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053LEU-057PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053LEU-091ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4725)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053MET-140ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-5.8701)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053SER-089GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-18.0400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-059LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2337)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-083ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-24.1541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-092TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.2980)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-094LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.8837)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-142ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1362)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-169MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.3295)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-057ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-068PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-074ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6662)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-117PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4690)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054ASN-069PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.0439)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054ASN-141ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=2.1027)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054GLU-057ARG-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-92.8413)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054GLU-058ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-116.0482)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054GLU-141GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-12.6722)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054ILE-074ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.6904)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-061LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7154)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-063PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2806)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-069VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3267)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-091LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7623)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-091LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.7336)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054PHE-101ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6212)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054THR-057ASP-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=1.4304)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054VAL-091ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.0282)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054VAL-097ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3999)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASN-058GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.8123)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASN-058TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5591)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-069ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-116.1151)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-104LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-85.9751)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-105TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-10.2399)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-185ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-110.8595)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055GLN-272GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=6.0416)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055GLU-121LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9244)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-059ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6552)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-061CYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-151THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9025)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-155ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=1.5053)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055LEU-060VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6757)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055PHE-139ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0098)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055PHE-141GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4617)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055PHE-141GLN-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055SER-071PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3123)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055SER-152PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055THR-072THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.5927)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055VAL-059ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4664)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ALA-061VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4686)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ALA-175PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6246)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ARG-061LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2900)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056HIE-287LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8794)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056HIE-287LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ILE-059PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1297)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ILE-059PHE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1073)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056LEU-069LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3488)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056LYS-160ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-108.5943)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056MET-059MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1729)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056MET-181ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7744)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056PHE-062PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2869)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056PHE-129PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.8618)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056PHE-152PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1873)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056SER-076LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3004)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056TYR-062TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.4809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056TYR-064VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.0014)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056TYR-084ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057ARG-067VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2881)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057GLU-061ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-87.9958)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057MET-060MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-060LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0838)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-066ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1718)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-098VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4865)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-116PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-163ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1568)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PRO-063TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4899)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057TYR-091LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.4723)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057VAL-084ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.3073)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057VAL-084ASP-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.1152)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057VAL-181ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9361)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ARG-062LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8403)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ARG-141GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-9.6766)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ASP-279LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-107.3573)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058GLN-067PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4835)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058GLN-067PHE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058HIE-067GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4693)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058HIE-115GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.8532)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ILE-097TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7705)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LEU-071VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LEU-084LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.0532)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LEU-094GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LYS-122VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.1723)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-062ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8379)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-062TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.2597)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-070TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.7804)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-081PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.3178)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-101ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=1.0783)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-131VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5097)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TRP-084SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.2715)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TRP-180SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0389)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-062GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9131)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-062GLN-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.2161)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-062LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-8.1892)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-066VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6064)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-068ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6127)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-077ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058VAL-085ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1320)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ARG-065MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2129)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ARG-067GLN-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-22.3419)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ASN-062LYS-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-26.0675)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ILE-068ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6037)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ILE-094LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5758)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LEU-117VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7592)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LEU-117VAL-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LEU-119GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4118)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LYS-063ASP-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-114.6237)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LYS-075TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-7.4652)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LYS-135ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.7920)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-063ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.4353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-118THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.0046)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-120TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7572)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-127ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059THR-088TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7834)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059VAL-084LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8835)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059VAL-136TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060ALA-081LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5861)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060ASP-165ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=78.7999)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-068PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-095PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9384)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-095PHE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8540)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-098VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-120VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9503)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-152PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060MET-070GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=1.2860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060THR-087LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-17.5300)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060THR-176ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-12.3356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060TYR-064LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060TYR-128PRO-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060VAL-063TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9098)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060VAL-157PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7875)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ALA-080ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.0137)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ARG-083GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.3656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ARG-083GLU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-90.7860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ARG-084LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3089)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ASN-065ASN-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.3686)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ASP-065LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-5.8648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-080ARG-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-77.6732)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-088PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.3917)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-142MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-7.8397)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-145LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6951)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-064PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4680)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-086ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0347)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-089MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3078)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-091ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.0399)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-092TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-098LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6837)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-155ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.2260)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061LEU-065MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4724)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061LEU-079ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-068VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-086VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0338)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-086VAL-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5996)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-099ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.1014)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-117VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6487)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PRO-088PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2527)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061THR-081THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2323)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061THR-083GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-13.7172)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061TYR-066LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.1270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061VAL-064TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2237)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061VAL-066VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.5128)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061VAL-068ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8295)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ALA-070MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0139)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ASP-080ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-85.8511)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-110GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-6.2540)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-112PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0840)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-171PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=2.7059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-173TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.4703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-173TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-070GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-7.4501)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-072LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7427)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-073TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=4.5530)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-076ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-067ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2074)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-069TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-105TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-107PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LEU-075ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LEU-077ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LEU-079LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4380)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LYS-067PHE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6846)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LYS-147GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.2231)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062PHE-120TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6196)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062PHE-128PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.1270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062THR-099ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-8.6433)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062THR-102HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TRP-073ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TRP-164PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.9627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TRP-166PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-077PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.1851)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-083GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-21.4871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-084ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9978)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-093ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3283)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-095TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.2456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063ASN-081THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.8277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063GLN-067ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=12.4067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063GLN-136TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.0546)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063GLN-165ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-9.3171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063ILE-077LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2716)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063LEU-068HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3770)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063LEU-108LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063LEU-140LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1177)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-090GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5377)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-090GLN-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7137)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-091ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7650)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-094VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9369)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063THR-092TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0425)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-081TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=1.9088)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-085MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.3468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-098LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-136PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5042)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063VAL-067LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4637)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063VAL-154THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4908)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064GLU-111TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-072PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2885)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-084TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.9417)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-084TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.0318)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-090TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0917)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064PHE-097PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2571)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064PHE-123THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9300)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064PHE-125TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.9787)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064SER-171PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=1.9259)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064THR-116PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-068LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-5.0799)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-078PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.3953)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-082VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1192)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-083LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6283)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-164PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.5601)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064VAL-073ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.0832)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064VAL-143GLN-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065ALA-070PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6706)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065ASN-110GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065ASP-110GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-5.0304)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065GLN-088TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0923)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065LEU-077VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4605)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065LEU-080VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9193)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065MET-117PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.9592)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065PHE-095LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6023)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065PRO-101LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4284)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065PRO-111TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.6636)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065SER-068TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=1.1625)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065SER-108TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5895)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065THR-069ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4751)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065THR-082LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9929)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065TRP-146THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9195)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065TRP-154THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4851)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065TYR-090PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7478)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ALA-084ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2484)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ALA-136TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ARG-167GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-116.4957)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ASP-069ARG-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-92.1238)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066GLN-070ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.0931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066HIE-069GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.3999)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ILE-146VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5660)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066LEU-073PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066LEU-138THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4877)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066PHE-075LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7308)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066PHE-109SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.0675)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066PRO-095TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.0481)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066TRP-109TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6140)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066TRP-110PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066VAL-085ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.3584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067ARG-077ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.2948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067ASP-070ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.1501)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067GLN-115GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-5.5473)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067GLN-117PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.3215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067GLU-139TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.7488)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067HIE-070HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.6151)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067HIE-086GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.2181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067LEU-078LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5625)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067LEU-107LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4757)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067LEU-109VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4972)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067PRO-095TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.2516)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067PRO-101ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5357)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067SER-073TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067THR-080TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9452)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067THR-082VAL-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067VAL-085ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=2.3045)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ARG-072THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-12.0406)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068HIE-075LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-10.4339)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068HIE-080GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=1.9748)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068HIE-123ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-24.8397)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ILE-072LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.1612)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ILE-084TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6920)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ILE-091LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.0661)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068LEU-081VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3151)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068LEU-146PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068MET-131LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.4635)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-076LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.8518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-076LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0772)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-077ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4191)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-077VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7719)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-080LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7760)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-080VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8649)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-083LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7214)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-110LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7712)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068TYR-073ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8542)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068TYR-078ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0706)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068TYR-082HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4880)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069ARG-075ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069ASN-119VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-076ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8657)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-076ILE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-6.2278)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-078ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-115.4629)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-123ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=61.7938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069HIE-075ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6440)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069HIE-078PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.8153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069ILE-101ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.6671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069PHE-078GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-5.2462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069PHE-080TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0641)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069PHE-166TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=1.9528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069THR-080LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-073TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.4625)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-086GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-086ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-114VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070ASN-080GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=7.6581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070ASP-076THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-13.8964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070GLU-073LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2834)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070GLU-073LYS-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-91.3709)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070MET-075ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6637)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070PHE-120TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.4294)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070SER-082VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6775)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070THR-120ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=6.1293)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070THR-124THR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.8942)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070TRP-084VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070TRP-138LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.3581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070TRP-174PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.2134)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071ASP-074LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.7028)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071LYS-195ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.0418)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-080ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8089)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-080LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8266)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-086ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-108ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9471)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-114SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.0274)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071SER-082HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-5.1383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-076LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1165)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-078GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.6288)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-099TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-5.7987)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-100SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-125PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.9278)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-165ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1639)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-166TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0139)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-077ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2735)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-083ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3846)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-085ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2290)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-119VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.3183)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ARG-116ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-92.8089)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ARG-118TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-5.8660)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ASN-075ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-17.5689)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072HIE-093TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7544)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072HIE-095PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7740)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-077PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1987)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-082HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6495)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-116PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9105)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-116PHE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3889)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072THR-175GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8178)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072TYR-076ARG-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3283)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072TYR-127ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.0960)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072VAL-176PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5418)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ARG-076LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.9782)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ARG-119ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-101.7494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ARG-163ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1295)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ASP-135ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-109.2419)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ASP-193VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.2438)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073GLU-077ASN-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.5268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073GLU-119SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-17.9355)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ILE-128ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8489)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073LEU-120TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7770)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073PHE-077TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.4681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073PHE-079LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5894)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073SER-090SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2236)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073SER-178SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.0671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073TRP-089TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.8464)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073VAL-111ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9505)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ALA-083TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7099)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-130TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0285)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-135SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-135SER-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-11.8811)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-136GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.3166)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-147TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5632)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-147TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-5.1805)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074GLN-094ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-5.1234)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074GLU-096ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-60.7181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LEU-079TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9766)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LEU-102PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1336)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LEU-107PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.2224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LYS-127ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5333)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074PHE-080LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0338)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074PHE-083HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5053)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074SER-091PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3009)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074SER-111GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-18.8830)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074VAL-080TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.1921)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074VAL-083ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074VAL-190LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2839)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075GLU-079GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-12.0681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075GLU-079GLU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=76.9754)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075ILE-080ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5733)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075ILE-112LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3813)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075LEU-094ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075LEU-111LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1556)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075LEU-111LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075PHE-093PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4600)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075PHE-182ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075PHE-184PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075SER-078TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3170)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075SER-111ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-16.2004)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075TRP-176ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.0048)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-079GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-95.3429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-120TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.4647)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-208TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3509)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-208TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-5.6010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-084LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7971)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-089TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-24.4209)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-091PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-188GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-19.8467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076GLU-170LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.6219)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ILE-094ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0967)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076LEU-086MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.0484)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076LEU-117ILE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.1603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076LEU-123THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3949)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076PRO-111TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7693)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076PRO-112LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.2239)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076SER-082PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076THR-090SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.8241)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-125ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0989)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-125ILE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1692)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-136TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7440)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-139ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.8517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-143TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.7384)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ALA-096ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6432)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ALA-138ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2416)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ALA-138ARG-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.0857)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ASP-080ARG-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-84.4348)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077HIE-111LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7999)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-102PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8046)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-112ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5354)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-125VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9441)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-128TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8534)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-128TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077LEU-093VAL-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.1207)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077LYS-178VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.2870)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077LYS-186ASN-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-18.2546)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-089PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.3491)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-093ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.3555)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-097LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4278)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-116PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-160VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5189)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-162PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1331)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-201ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-6.0930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-205GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-8.4454)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078ALA-126VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3949)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078ASP-157LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-103.2204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLN-085LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2807)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLN-088GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-19.6160)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLU-099THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.9393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLU-127GLN-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-22.1397)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078HIE-081PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5362)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078LEU-108VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.5005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-082VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9360)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-096ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7034)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-104TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.2335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-107ALA-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8231)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-108LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8755)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-179LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.8862)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-215ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8345)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-218LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-218LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.4825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PRO-115PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2470)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PRO-186ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.1609)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078SER-184PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.4560)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078TYR-082PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.7140)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ARG-083ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-96.9929)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ARG-182ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-109.0616)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ASP-131HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-26.3844)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ASP-135ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.6285)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079PHE-089PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2093)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079PHE-100THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079PHE-104LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2189)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079SER-088ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5709)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079SER-208TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079THR-089LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8675)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079THR-089LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1611)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079THR-110THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.4602)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-084PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0885)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-109VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6472)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-112LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5956)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-112LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-146PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.2919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-153TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5521)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-167GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=2.0980)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079VAL-087LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1534)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079VAL-094ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1875)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ARG-088PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.0119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ARG-090ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.0438)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ASP-087LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-110.5646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080GLU-092ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.9302)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080GLU-155ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-117.2483)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ILE-112LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080PHE-085LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.8611)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080PHE-098SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2183)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080PHE-166PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7815)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080THR-090ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.9141)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-088LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1130)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-090TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.8718)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-095ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-108LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.2518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-136ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3098)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TYR-129TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.6345)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TYR-172GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=1.8823)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ALA-088ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6708)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASN-084LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4634)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASN-085SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.0531)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASN-100TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-5.2765)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASP-092SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-16.8819)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLN-085ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-21.5676)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLU-101ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=6.0219)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLU-103GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2191)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLU-103GLN-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-13.0295)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081HIE-202PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.6770)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ILE-085ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.4430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081LYS-105VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.9896)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-106CYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=15.3121)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-134GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-134GLU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-8.1650)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-138ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.3784)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081SER-087PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081TYR-085ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6731)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081TYR-130VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4367)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081VAL-105TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081VAL-149HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2180)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ARG-088PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.8264)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ARG-088PHE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.9455)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-121LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4226)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-135ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6855)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-136PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4023)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-186VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7628)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082LEU-176PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6264)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082PHE-091ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=1.5198)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082PHE-102TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.5870)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082PHE-104VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8451)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-108LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3016)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-126SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3888)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-127PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5478)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-130VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5543)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ASP-089HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-22.7313)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ASP-105TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=4.4121)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ASP-136ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-92.8447)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083GLU-094TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-7.0144)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083HIE-086GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-24.6698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083HIE-089ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-24.2771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ILE-155ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5882)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ILE-173LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3600)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-087LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0045)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-088TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-101GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7959)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-108VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4208)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083THR-086MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=1.3541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083THR-087GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083TYR-087PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.6871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083TYR-094TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1109)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083TYR-096ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5068)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-087LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6969)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-094PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-094PHE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5966)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-103TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3437)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-140TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8693)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-153PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.0837)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ARG-089ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-86.6990)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASN-099LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1346)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASN-103TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-7.6389)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASP-087PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.2491)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASP-107ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-13.2350)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASP-126VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.1213)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084CYS-090LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-10.5968)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084LEU-090LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084PRO-122PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0667)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084PRO-135PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2631)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084THR-107PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084THR-108TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6303)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084TYR-089ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.8452)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084TYR-095LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1149)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085ASN-099TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2653)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085HIE-094TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.2187)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085HIE-101TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6745)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085ILE-089ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3176)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085ILE-103LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1003)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-094PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-108LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3324)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-137ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9501)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-138LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5971)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LYS-088GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-110.1865)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LYS-094TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0046)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085MET-136PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085PRO-090LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6106)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085TRP-089ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.5652)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085TRP-135LYS-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-6.8199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ALA-101GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ALA-104TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7294)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ALA-136PHE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7696)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-091ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-5.8510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-092TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-5.9666)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-112TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-10.7601)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-115ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-110.4580)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086HIE-089GLU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=15.4298)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086PRO-090ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2597)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086SER-136TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.8970)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086VAL-105LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6129)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086VAL-116VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5611)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087ALA-171PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.2099)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087ALA-173TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2135)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087ASN-091LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=4.7117)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087CYS-119ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=7.5516)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087CYS-121LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.0866)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087GLN-139ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-5.9297)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-095PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1992)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-095PHE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0873)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-096TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8659)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-109VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-153PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.0360)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087PHE-126VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5064)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087PHE-186VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2833)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087PHE-188VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9155)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087VAL-102LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.2226)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088ASN-092ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088ILE-135LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.0789)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088ILE-135PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3043)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088LEU-108ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4897)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088PHE-092LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7590)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ARG-106ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-91.1264)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ARG-108TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-11.8288)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ARG-131VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ASP-092PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.8951)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ASP-112ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-13.1131)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ASP-131VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.2463)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089CYS-105LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0174)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089GLN-117PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.4975)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089GLN-125TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ILE-112TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5498)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089LEU-127VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8223)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089THR-098LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4476)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089THR-098LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3829)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089TYR-094TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3641)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089TYR-153VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4379)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ALA-121PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ARG-187SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-7.2714)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090GLU-119ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-100.3791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ILE-099LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4555)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ILE-107SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8897)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ILE-190VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2025)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090LYS-122ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-5.3562)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090LYS-122ASP-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.5296)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090PRO-129TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4965)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090PRO-154VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2963)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-095ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-8.0049)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-095ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9799)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-099ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7338)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-105LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-112GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=7.1046)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-113ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0833)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091ASN-096TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-6.3626)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-098SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.2125)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-118THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3060)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-118THR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.1809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-121LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.8367)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-122ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=12.1450)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-125HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8644)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-127VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5244)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091LYS-140SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6911)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091LYS-140SER-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-16.4485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091THR-094HIE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-5.5774)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091VAL-094ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.1222)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092ALA-164GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5761)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092LEU-095HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3134)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PHE-099TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.9518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PHE-120VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4331)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PHE-131VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PRO-102HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2389)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PRO-133LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8862)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092TRP-100GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=25.3130)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092VAL-117PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9425)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ALA-099THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6054)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ALA-164ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.9488)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ASN-096LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2961)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ASP-097THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-20.3457)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093HIE-118GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.3766)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093HIE-120ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3266)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093PRO-184PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2798)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094HIE-099THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1560)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094HIE-104PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.4243)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094ILE-114TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094LEU-132VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6439)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094LEU-182MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6747)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094LYS-112ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-120.4779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094PHE-098ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.6496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094PHE-141ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4710)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094PRO-135MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7131)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094TYR-097THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.0426)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094TYR-151VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7291)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094TYR-153VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4709)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094VAL-125TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7228)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094VAL-152LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.1301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094VAL-166PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1076)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ASN-164ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-22.0088)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ASP-102TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=5.7420)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095GLN-098TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7732)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095GLN-185THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7692)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095GLN-187ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-5.6573)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ILE-120TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4793)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ILE-120TRP-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8366)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ILE-144THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4418)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LEU-103ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LEU-130VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5308)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LEU-133LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4759)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LYS-107ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7234)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LYS-109THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-14.5507)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LYS-127ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-5.6966)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-099LYS-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.3101)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-118ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7135)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-154ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0831)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-160VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8113)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-160VAL-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3129)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095SER-114THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8094)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095THR-182ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=1.9842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095TRP-099LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3495)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095TRP-104VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6655)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095TYR-106TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.5472)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ASP-100ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-19.5211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ASP-101GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-21.2710)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096GLU-121LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.4987)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-101GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.9662)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-103SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.8843)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-126LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4223)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-127ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=12.9118)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-132VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0662)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ILE-127VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2135)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ILE-127VAL-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.0744)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096TRP-110LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9217)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096VAL-105LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.4551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096VAL-108THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6088)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ALA-105LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4663)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ALA-117HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ASN-102TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.6344)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097GLU-101ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-101.7936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ILE-105THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6884)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097LEU-111PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9889)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097LEU-113ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=1.8986)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097LEU-128PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8065)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PHE-103ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.8576)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PHE-181TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.5869)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PHE-183ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7974)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PRO-106ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3325)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TRP-145LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3028)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TRP-173TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.8069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TRP-213ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8065)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TYR-101TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.2099)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TYR-179LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.1437)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TYR-179LYS-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.2016)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097VAL-112TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6834)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098ILE-145ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4857)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-101VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8062)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-115SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-117ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3798)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-136PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8249)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-144VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3293)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-144VAL-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-146TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098PRO-101GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098PRO-102ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.2768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098PRO-114PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5815)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-112PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7999)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-127VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.4109)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-138TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=3.1810)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-164ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-16.5956)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-101GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9839)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-105TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5389)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-152ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5106)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-286TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-287LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2120)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-102HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.8966)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-147VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5909)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-149ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0105)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-177ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-102.4931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-216GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-86.5444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099GLN-108GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.3176)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099GLN-148HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.8424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ILE-103ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2406)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099LYS-104THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6185)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099MET-107ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099MET-126VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.5591)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099PRO-104TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4652)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099PRO-164PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9758)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099PRO-166GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.5646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099TRP-118PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1399)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099TRP-272GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-23.5934)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ALA-112PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4154)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ASN-113LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6662)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ILE-103HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ILE-104LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7056)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100LEU-130VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5273)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100LEU-134ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1897)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100LEU-142LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1223)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100SER-119GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-18.7948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100SER-131VAL-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8875)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100SER-148ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=2.6643)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100THR-104LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4354)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100TRP-103LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-11.3326)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100TRP-103LYS-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1591)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100VAL-283ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4783)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ALA-104ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.0565)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ALA-128ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ALA-138TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2228)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ARG-142LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7121)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ASN-125HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.8009)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ASP-145THR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-17.5736)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ILE-110LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6124)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ILE-110PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3767)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ILE-123ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101LEU-111TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101LEU-125TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2954)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101LEU-132ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4472)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TRP-132VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7415)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TRP-135LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.3910)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TRP-177ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TYR-151VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1339)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101VAL-106LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7482)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101VAL-132PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1312)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101VAL-132PHE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0593)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ALA-114PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.1271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ASP-106SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.2483)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-109TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.3240)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-127GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4989)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-269HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.6447)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-270TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.8706)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-272GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.8982)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-110ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3866)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-145ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4802)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-149TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0354)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-149TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-153PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5690)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102SER-165LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-7.5157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102SER-169ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-16.9807)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102VAL-133PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7065)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ASP-149TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-21.5134)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ASP-269HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-10.6523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLN-108PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.1436)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLU-106LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-110.7250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLU-108TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-20.2313)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLU-177ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=83.0672)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103HIE-168TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-10.3212)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ILE-110VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4630)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ILE-130VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5044)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ILE-132PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6339)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103PHE-122MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2471)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103PHE-127LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7379)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104ALA-125TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.0648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104MET-112ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104MET-133PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-107ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-129ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0718)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-147LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2870)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-166GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-21.7311)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-168LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-169PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-202PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.4767)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-205GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8949)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104VAL-108ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5169)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104VAL-112SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3990)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104VAL-126ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6167)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ALA-115GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3619)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ASN-139VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8835)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ASN-146GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=1.2652)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ASN-154ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=6.1104)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ILE-128LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.0495)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ILE-131ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3340)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ILE-135LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5235)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105LEU-114TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7949)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105LEU-168ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8591)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105LEU-175PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2866)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PHE-127LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7749)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PHE-130ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.7232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PHE-130ARG-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5572)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PRO-128ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.4610)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PRO-181TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-7.6967)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105TYR-149HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.1767)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106ASN-130HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=1.7822)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106ASP-133GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=5.5599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106GLU-129LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-111.4444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106ILE-168ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1752)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106LEU-126LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106LEU-149PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3539)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106LEU-149PHE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106PHE-109PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.1202)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106PHE-178LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.2262)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106SER-128PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=1.2750)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106TYR-112SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8174)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106VAL-112LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4594)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107ASP-125ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-23.0009)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107ILE-153TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7578)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107ILE-158MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107THR-125ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4954)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107THR-129LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-17.5802)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107VAL-147PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107VAL-147PHE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7789)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108ILE-122VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4899)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108ILE-146GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.0960)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108LYS-131ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108LYS-160LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.0392)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108PHE-125TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6652)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108PHE-127PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5764)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108PHE-150VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7367)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108TRP-151ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5164)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108TRP-155VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4709)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109ARG-115GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-111.1627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109GLN-161GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0124)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109GLN-161GLU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-11.9170)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-113ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.8396)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-181ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8057)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-182VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0091)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-185VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8212)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-228TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.4327)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109SER-137ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=2.6383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109THR-131VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9725)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109THR-158MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109VAL-164ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1979)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ALA-161PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ALA-164ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2911)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110GLU-129LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-112.9207)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-116PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8800)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-149ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9320)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-151VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8458)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-162VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110LEU-125VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2673)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110LEU-127ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2203)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-123ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.0904)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-128PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3866)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-222TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.9277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-226LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9699)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-226LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110THR-127GLN-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-5.0601)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110THR-129TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-5.0478)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111ASP-156SER-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=9.3720)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111ASP-193HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-9.6447)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111HIE-218LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.1020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-116ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-130TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1279)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-158LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3516)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-169LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3231)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111TRP-115GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.5444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111VAL-125ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4139)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ALA-128PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6615)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ALA-131VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6505)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ARG-115ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4900)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ARG-125PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.8660)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ARG-127GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1620)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ASP-183GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=85.3656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ILE-125VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.0884)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ILE-142ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7673)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112LEU-142PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0535)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112LYS-127LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7903)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112PHE-121LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2572)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112PHE-125HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2025)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TRP-119ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TRP-119ARG-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.6781)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TRP-120VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4014)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TYR-125GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.9066)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TYR-128LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TYR-190ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-8.1649)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-118ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.6734)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-120VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-122VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1238)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-225TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8592)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ASP-195GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-14.0890)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-131VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4117)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-164HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1023)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-185VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.2459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-190ARG-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6878)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-232ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7248)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113LYS-117GLU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.3815)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113LYS-170VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113LYS-173GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-121.9166)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113SER-120ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1707)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-119PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6077)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-124HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.4489)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-126ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8062)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-171ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-21.7004)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-178ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0116)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TYR-124THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113VAL-120HIE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6549)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113VAL-143PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114ALA-160ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3571)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114ASN-122ARG-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5758)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114ASP-179LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.1908)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114GLU-144ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-7.5056)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114GLU-146ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-117.4812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114LEU-118ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3326)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114LYS-225TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.8880)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114VAL-167GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.6979)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115ASN-124LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115ASP-156ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=84.8152)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLN-118ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.1262)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-123PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9428)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-123PRO-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.7981)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-160GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=63.0790)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-163TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.9651)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115MET-168TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6121)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115PRO-129TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.1467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115THR-138VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3365)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115THR-142GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-18.3845)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115THR-142GLU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-16.7389)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115VAL-122MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4532)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115VAL-123PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5520)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115VAL-130ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.2238)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116ALA-162PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116LYS-144SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-8.5283)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116PHE-130VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1788)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116PHE-165VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6944)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117HIE-123PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2380)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117ILE-142PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9305)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PHE-125TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.8582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PHE-130HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0953)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PRO-126ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6445)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PRO-129TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=1.4805)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PRO-130LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1113)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117VAL-166ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5135)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ALA-160VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1009)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ARG-157ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=9.7747)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ARG-185ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=62.9438)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ASP-136HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-25.3421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118GLN-121PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9787)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118GLU-173PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.0429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118GLU-176THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5726)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-136VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3557)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-165ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-166TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-178TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9252)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118THR-121LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7913)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118VAL-162PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119ALA-160LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4266)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119CYS-168HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.2580)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119LEU-137ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.3433)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119LEU-137ALA-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1089)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119LYS-186VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5780)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119MET-144SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119PHE-124HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.2385)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119PHE-176THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119SER-123ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.3637)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119SER-140TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3680)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119THR-123THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7259)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119THR-123THR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1381)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119TYR-174ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120HIE-185ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4999)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120ILE-123TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3019)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-123ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2068)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-124ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.5609)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-124LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9845)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-135ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5813)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-171TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2140)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-171TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4163)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LYS-138VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4174)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LYS-142ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-98.2168)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120PRO-126ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3013)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120SER-136HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9684)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120THR-143VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1685)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120THR-147GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-18.3686)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120TYR-141PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120VAL-123ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120VAL-154ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5594)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120VAL-275LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2885)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121ASN-132THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8478)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121GLN-144ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-20.8546)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121LEU-125HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4697)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121LEU-125HIE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4793)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121PHE-126VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121PHE-191LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5765)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121PHE-219TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121TYR-125LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.8427)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121VAL-157ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6787)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122ASP-125LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.2067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122LEU-188VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3512)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122MET-126GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-7.5803)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122VAL-125ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0563)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122VAL-143VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4677)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122VAL-152PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4065)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123ALA-128VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2986)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123ALA-158ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=2.4677)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123ARG-127GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.2081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123MET-140ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4112)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123SER-182ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.4619)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123THR-136SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.0970)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123TYR-154VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8409)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123VAL-134LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2428)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ALA-156THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2852)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ASP-131THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=4.6656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ASP-132THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-18.7035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ASP-134ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-110.8179)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124GLN-200ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6336)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124HIE-140GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-24.1561)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124HIE-143VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2754)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124LEU-136HIE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2634)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124LEU-181VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125GLU-192PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-5.0543)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125ILE-136TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5637)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125LEU-129LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0473)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125PHE-143VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0053)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TRP-138SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.6341)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TRP-150VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0310)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TRP-152LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7592)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TYR-164HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.6082)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ALA-140GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6537)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ASN-129ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126GLU-130ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-102.9614)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ILE-136PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5724)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ILE-139PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0873)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ILE-139PHE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.3827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126LEU-130HIE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9017)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126LEU-162PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7546)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126LYS-158ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4116)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126PHE-132HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3981)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126PHE-171TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.2746)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126PHE-176TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.4308)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126SER-171ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5480)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126THR-197TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0304)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127ALA-177ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127GLU-146ARG-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-96.2509)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127GLU-269HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9355)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127GLU-269HIE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=13.7390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127LEU-210VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2759)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127MET-131LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2134)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-132ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9959)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-133SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7854)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-138SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3307)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-140HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.1102)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-158VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6956)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-183TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0696)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-206ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9297)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-237ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6465)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-239PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.8165)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128ILE-131LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4607)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128LYS-183TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0683)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128PHE-235LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128PHE-252LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3878)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128PRO-275LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8823)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128TYR-158MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.7036)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128TYR-160LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9678)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128VAL-160LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129ASN-132TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.1587)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129ASP-140HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-24.0776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129ASP-148TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.8795)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-155PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7137)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-192PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-195PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.1886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-277TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6679)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-277TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9247)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129PHE-133VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7657)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129PHE-156ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-6.9316)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129PHE-166PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7298)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129TYR-133ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-7.6135)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129TYR-136TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.9217)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129VAL-159PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9299)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129VAL-184PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4981)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130ARG-170TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.6170)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130ARG-244ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5790)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130ARG-248GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-75.8609)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130GLN-134GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-16.5772)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130GLN-137ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=1.2488)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130PRO-135ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130PRO-139ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130PRO-180PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8265)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130SER-149HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-7.7173)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130SER-153TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-5.2723)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130VAL-139ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.6347)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130VAL-162VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4196)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130VAL-185PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7905)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ALA-140HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4794)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ARG-134GLU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-79.1393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ASP-147PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ASP-182PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.1935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131LEU-136VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.1446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131LEU-160MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5404)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131PRO-219VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3379)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131PRO-220GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.8915)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131THR-149LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ARG-136ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0480)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ASP-156ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-100.7596)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132HIE-135LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132HIE-147ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-25.0757)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132HIE-149ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ILE-135PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7414)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ILE-138TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.4569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ILE-146TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7238)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132LEU-198PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7396)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-162VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2750)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-174SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6473)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-176VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0749)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-183GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132TYR-136PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6732)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133LYS-136ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-101.9086)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133LYS-198PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2180)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133PRO-151ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.5377)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133SER-161GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-16.4255)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133TRP-143MET-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.2184)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133TRP-148VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=1.1779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133TRP-277TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=1.9019)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133VAL-137ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.4291)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133VAL-146TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7217)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134GLU-138ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-102.6910)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134ILE-147ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.5244)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134ILE-167LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2106)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134LEU-205TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3345)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135ARG-193VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135ILE-180PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6128)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LEU-139LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9419)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LEU-163LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.0922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LEU-179LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1544)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LYS-157GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-104.3107)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LYS-177ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7503)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PHE-147TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.5487)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PRO-140SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PRO-144LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6736)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PRO-155PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135TRP-147GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-5.4253)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135TRP-208ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8720)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136ARG-142ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.9633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136ASP-198PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-6.6015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136ASP-201VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.8719)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136CYS-143PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7877)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136PHE-141ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136PHE-146TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136SER-144ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-13.5890)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136TRP-155CYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2025)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136TRP-165ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-22.5372)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136TRP-179MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3070)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136VAL-169LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5194)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137ARG-154TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.1916)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137ARG-154TRP-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-6.3908)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137ARG-157GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-99.7371)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137GLU-143MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.2023)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137SER-156ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137TYR-166SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.1210)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138ARG-142GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-91.5726)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138ILE-156ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5978)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138LEU-149PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9273)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138PHE-153PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.4272)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138SER-169VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6016)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138TRP-146PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.0423)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138TRP-243LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.1458)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138VAL-144ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139ASN-154SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.8691)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139GLU-144LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-114.6426)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139ILE-143TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1474)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139LEU-204TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1053)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139PRO-180PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139TYR-148SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0188)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140GLU-143VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.4389)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140GLU-155THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-15.6899)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140GLU-156ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-116.9739)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140LEU-168LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.1122)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141GLN-160PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6808)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141LYS-144GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-109.5515)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141MET-155ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2751)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141PHE-152PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.9513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141SER-144ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-13.0424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141SER-154ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1579)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142GLN-154GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.4163)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142ILE-155LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2214)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142ILE-155LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5475)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142ILE-185VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6950)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142PHE-170ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-147LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-8.8526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-148TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.4173)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-150VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.0718)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-160PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.4457)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-170ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.8091)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-199THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8148)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-203VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7344)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143ARG-187ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-114.0596)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143ARG-188LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=62.8660)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143GLN-147GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-22.2785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143ILE-146VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143LEU-160ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.8697)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143TRP-146LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.7084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143TYR-150ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143VAL-147LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5242)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143VAL-152PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7759)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144ARG-147GLU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-91.6283)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144ASP-150SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-14.7919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144ILE-155THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5909)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144LYS-161GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-120.3257)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144PHE-153LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.9072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144PHE-155ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5003)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='145GLN-149MET-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=4.7702)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='145LEU-149PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7667)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='145THR-149PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146ARG-207GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-116.6770)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146GLU-158SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=9.9645)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-149PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.5813)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-150LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4997)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-150VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-164TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0058)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-165PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-199LYS-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4949)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146VAL-161VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4591)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146VAL-161VAL-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2851)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146VAL-165HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3107)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147ASP-171TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-23.9618)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147ASP-188LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-109.9674)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147LYS-203VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4388)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147PHE-159PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.4453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147PHE-182PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7286)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147VAL-175SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5346)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148ALA-158LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4712)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148HIE-152GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.8902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148ILE-202VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3725)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148ILE-204ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0735)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148PHE-164HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.4757)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148PHE-165TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.0926)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148SER-163ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5585)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148TYR-170ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0196)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-167THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3881)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-171TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.2729)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-175SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5516)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-177ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-5.8778)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149LEU-152GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-159ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5004)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-164PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-165PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5821)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-169VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3132)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PRO-152GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.7390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PRO-152PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6624)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149THR-157PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7202)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149TYR-153PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.3475)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150ARG-157ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-111.3001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150ARG-208ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0025)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-153PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6200)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-154TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3236)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-159PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0672)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-167LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-170HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8626)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-202LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5651)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-203GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.2150)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LYS-158LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3286)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='151ILE-159VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.3573)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='151SER-159PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5650)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='151THR-163THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=6.3329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152ASP-156LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.7415)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152ASP-158LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152CYS-197VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.9169)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152LYS-156ASP-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-114.0801)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152LYS-277TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.2244)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153ASP-156ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-66.7101)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153ASP-200ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-104.4961)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153LYS-203GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-113.9475)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153PHE-163LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0041)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153TRP-158MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.6095)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ARG-204ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=62.2976)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ARG-208TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-9.9222)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ILE-159GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4257)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ILE-160VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3985)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154LEU-191TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8992)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154LYS-159ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2625)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154TYR-203GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=5.7813)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154TYR-207ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=1.0252)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PHE-197TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4921)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PHE-277TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.7167)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PHE-284LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6297)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PRO-170TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-171ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-93.6215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-172THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-13.7843)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-197GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-112.4023)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-200TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.3930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-200TRP-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-12.0668)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156SER-191TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157ASP-202VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0470)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157ASP-204ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-116.2795)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157ILE-160CYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0617)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157MET-181ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.0596)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157MET-192ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7200)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157PRO-161VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7661)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157VAL-167PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9687)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158ALA-193HIE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6140)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158ALA-284LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1727)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158ILE-164LYS-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5885)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158LEU-172THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.0077)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158VAL-169VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.4013)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158VAL-205TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9472)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ALA-197TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3128)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159GLU-170LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.9584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-172TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3109)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-199LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6690)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-200TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2099)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-203PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2652)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PHE-206ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6045)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PRO-164VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3014)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PRO-178TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.1777)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PRO-192ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159VAL-180LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160LEU-164TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2891)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160MET-169LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160PHE-169VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3445)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160PHE-203VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7565)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161ARG-285ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-85.4311)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161ARG-288ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.8178)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161ARG-292GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-117.4845)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161THR-194VAL-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.0556)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161TYR-201ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.9652)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161TYR-204ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9466)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161VAL-170LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162ALA-174ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5637)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162ALA-175TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.9818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-198PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9534)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-201LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-203VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5628)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-208ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.3494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-284LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1864)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162PHE-168LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6910)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162PHE-207ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1508)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162VAL-167CYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162VAL-167TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162VAL-167TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9336)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ARG-201LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0112)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ASN-166ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ASN-196ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-5.0450)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ILE-166CYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2966)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163LEU-171ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4235)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163LEU-175LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.1170)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-174ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.9041)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-178TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.1721)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-180LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8207)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-180LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9957)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-183LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-6.0550)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-184VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-187GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=4.9676)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='164VAL-171ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7220)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='164VAL-225LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165ALA-292GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0355)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165GLN-224MET-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165LYS-169ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-111.0246)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165PHE-169VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2027)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-168ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=3.8093)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-171VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2464)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-208ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6909)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-208ILE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1644)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165VAL-177ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4085)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='166ILE-187ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='166PRO-171VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3976)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='166PRO-172VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1235)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='167GLU-187ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-115.0190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='167PHE-170TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.4270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='167PRO-170VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168HIE-180GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-23.8423)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168ILE-178VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2361)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168LEU-172ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.2357)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168LEU-211ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6677)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168TYR-203ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0244)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168TYR-224MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2563)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169ASP-172SER-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-17.2320)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169LEU-181TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2142)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169LYS-172ILE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.5924)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169LYS-291ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2056)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169MET-184VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.1354)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170ALA-175TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0487)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170HIE-174LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0309)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170LEU-178LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8564)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170LEU-186TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0265)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170THR-180GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171ASP-176THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-15.8017)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171THR-180SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.7392)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171TYR-180PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=2.6788)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171TYR-231VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8864)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='172ASP-204TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-24.6163)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='172ILE-235VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4411)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='172TYR-193VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6411)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173ARG-234ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-114.5232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173ARG-296LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=58.7916)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173CYS-269HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5589)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173CYS-270TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8052)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173LEU-190VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4408)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173PHE-176THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7560)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173TYR-211PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9544)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173TYR-213ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7980)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173TYR-245ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0971)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174ASN-178LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-23.6438)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174MET-177ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174THR-205LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1177)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-203VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6777)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-205PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-270TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.0171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-273GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5579)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-273GLU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7197)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='175LEU-233ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1718)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='175VAL-268LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8079)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='175VAL-274ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-6.4786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ALA-195LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5395)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ARG-182GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-112.5075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ARG-273GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-75.7113)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ILE-198PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9616)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ILE-201ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3556)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ILE-205LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1123)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-204TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-208ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4999)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-208ALA-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3733)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-214PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3751)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176THR-180LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5846)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='177ASP-216GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=70.8100)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='177GLN-190VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9194)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='178SER-239ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-17.3337)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179ALA-225TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5041)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179ALA-238MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6025)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179ALA-250ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6554)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179LEU-239PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5537)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179TYR-216GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=4.9305)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179TYR-250PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.2681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179TYR-258TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.8819)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180ASN-219SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.9745)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180ASN-229TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.1060)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180GLU-187ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-99.9533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180GLU-189ARG-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-103.6094)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180GLU-194ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-113.4169)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-184VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1740)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-209TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-10.2397)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-214PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3193)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-224ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5989)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181ILE-228TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9366)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181THR-195SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.3850)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181TRP-185GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6014)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181TRP-189SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6874)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181TRP-258TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.5405)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ASP-186ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-10.5451)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ILE-192ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5163)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ILE-239PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8262)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ILE-242LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3585)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182PRO-186LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1820)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182PRO-186LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8811)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182PRO-189ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.5307)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-190LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1662)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-194ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6814)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-205LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.5736)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-209TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=2.4425)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183TYR-186LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-14.3917)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184ASP-187ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-86.7562)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-205THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4612)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-209LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2266)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-225TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-228VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9389)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-238MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4590)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-255TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4436)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184THR-220ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184VAL-225GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3876)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185PHE-190LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.8336)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185TYR-220PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8685)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185VAL-224ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.1022)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185VAL-228TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0955)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186CYS-192PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5732)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186GLU-189LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-107.7829)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186LYS-191VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4097)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186LYS-191VAL-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1624)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186TYR-273GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=5.4727)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186VAL-208PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9678)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186VAL-223LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3552)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='187LYS-193THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3557)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='187LYS-193THR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4997)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='188LYS-225GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-4.7965)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189THR-199LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.6775)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189THR-205PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0177)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189THR-207GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-13.9861)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189TYR-232ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='190ARG-235LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.8920)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='190LYS-193GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-107.3354)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='190PHE-199LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0289)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='191LEU-219TRP-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0559)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='191TRP-229TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9802)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='192GLN-197VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4766)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='192ILE-242LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3641)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='192SER-269ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-9.1690)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='193HIE-248MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6432)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='193HIE-301MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4125)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194ASP-269ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-117.3037)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194ILE-205LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4800)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-198PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.4703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-201LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4304)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-217PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-233ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4926)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-237ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2682)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-241TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.4994)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195ASP-241TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=6.8748)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195LEU-205PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7193)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195LEU-237ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2063)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195LEU-269ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.9184)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195PRO-198PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.4393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-218GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=11.3038)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-221MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5274)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-249ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5058)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-249ILE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='197TYR-201LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5175)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='197TYR-252PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5016)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='197TYR-284LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5762)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198ASN-201LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3792)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-205PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-217PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-284LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8089)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-287LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3715)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='199LYS-207GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-107.2779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='200TRP-204ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.7159)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='201LEU-284LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='201SER-209ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6905)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='202TYR-212ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='202TYR-241TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4992)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='203VAL-291ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205LEU-212ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6800)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205MET-223ASP-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-5.4745)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205MET-224MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3763)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205THR-209LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5645)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='206ASP-210TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-26.3351)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='206VAL-231TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.0381)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='207PRO-216VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2024)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='208ALA-214PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9866)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='209TYR-214PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9364)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='210GLU-213LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-108.1370)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='210TYR-216ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4382)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='210TYR-286TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6804)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='211ASP-214LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-113.1075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='211PRO-245ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5977)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='212ALA-221GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0889)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='212ILE-243LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5488)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='212PRO-215ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7585)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='214ILE-217PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3555)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='215ALA-282PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4561)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='217PHE-234TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.9081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='217PHE-247ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8241)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='217PHE-249TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.2597)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='218ALA-249TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.1490)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='218ALA-258TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219SER-229TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.1010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-222TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2122)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-222TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4203)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-272ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6589)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-286TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9395)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-288LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.1374)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='220ALA-256THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5954)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='220ALA-286TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-226LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.8769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-230LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-110.4059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-231TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=8.2845)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-262SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-16.7908)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-263SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-17.3576)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-265GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=81.1082)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='222ALA-249ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223ASP-286TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=5.6350)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223ASP-288LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.2615)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223ASP-289SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-17.9402)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223LEU-227ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=1.6666)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='224MET-229PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.2334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='224MET-229PHE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1967)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='225ASN-228ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4078)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='225TRP-228VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8076)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='225TRP-252GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.9352)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-233LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.0092)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-247VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-294TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.1405)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-294TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LYS-262SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-16.5919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='227HIE-255SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.9458)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='227HIE-256LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9747)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='227HIE-289SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.5764)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='228ARG-232GLU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-91.2783)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='228VAL-254THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=0.0112)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='232PRO-290LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234ASN-237ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-260LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6732)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-262VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2718)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-286TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-286TRP-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-2.2116)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='235VAL-294ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4454)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236ILE-258LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236ILE-260ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236PHE-262VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6019)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236PHE-279ILE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6361)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236PHE-282GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8458)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237ILE-267ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1803)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237ILE-269ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.1541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237TRP-246PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6374)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237TRP-249ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.3419)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237TRP-263ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2364)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='238MET-247PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.7097)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='238MET-255TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.9084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='239ASP-244THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-3.2798)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='239ASP-271PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-11.6509)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='240ASP-270SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-16.5347)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='240PRO-268LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4783)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='241ARG-272GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-90.7849)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='243LEU-269HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='244SER-294TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.0518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='245ILE-250ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5601)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='245PRO-248GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.8852)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='248MET-298ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-269MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4819)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-276ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.1923)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-297PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.2508)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-300LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5398)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='250ILE-255TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.6836)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='250ILE-255TRP-2', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.7799)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='251LEU-269MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.9881)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='252PRO-258ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.2000)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='253ALA-261THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=1.2587)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='253ALA-302SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6458)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='255TRP-261VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-1.4817)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='258LEU-261VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.3760)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='261VAL-266VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.0517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='264ILE-271LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.4963)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='270SER-283LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6331)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='273PRO-283LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.8782)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='274ILE-279LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.5376)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='275ASN-278LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='adz', value=-0.6628)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-005ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-61.5815)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-013ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=63.4386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-015GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-80.3276)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-159VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.9719)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ASN-026VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6980)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ASN-030MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.9225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ASN-097GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-16.5732)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001HIE-099GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7029)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LEU-071LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LEU-154LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6241)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LEU-190THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5524)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LYS-027ASN-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=20.6616)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LYS-027THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8198)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LYS-027THR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=1.2174)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-005GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3790)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-027VAL-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=2.7236)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-031VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=2.2347)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-047GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.4121)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001PRO-046ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.0732)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001SER-030GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.2286)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ALA-101ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8056)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ARG-006GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-90.6200)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ARG-020PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.1867)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ARG-046LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.2048)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ASN-022GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-21.1628)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ASN-026ASP-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-8.2322)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ASP-145HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-6.8057)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-005GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7721)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-006GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0735)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-153PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6178)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-163LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5844)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-006GLU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9714)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-007ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7836)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-035GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-110.0856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-075ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-22.5084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-080ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-082TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-8.5565)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002MET-031TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002MET-050ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0060)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002TRP-012VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002TRP-138SER-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.9946)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002TRP-139LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7229)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-009TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6450)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-042PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-042PHE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6662)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-043HIE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.2258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-046SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4333)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ALA-007THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0237)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003GLU-006GLN-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=4.3190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ILE-062ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2641)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ILE-065SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.1820)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ILE-067TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5118)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003LEU-033LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7229)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003LEU-054LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6875)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003LYS-055LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4677)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003PRO-025ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2065)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003SER-096ASN-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.0373)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003THR-181VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0511)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003THR-182GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.5146)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TRP-163PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.1352)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TRP-167GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7194)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TRP-167GLN-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.5139)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-028VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3507)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-028VAL-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6696)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-030GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.5305)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-054VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2156)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-056ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-073CYS-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.0865)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-074SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6668)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-096HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.9442)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-009TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-012GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.6871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-036PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3431)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-064TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0338)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-081THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5007)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-083PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6834)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-118ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7246)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-121TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1203)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-024THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-15.4571)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-057ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0678)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-057ILE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.0145)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-095TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5290)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-095TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-6.0281)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ASN-009TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.8003)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ASP-043THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-16.4510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ASP-194ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-102.5050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004GLN-007ASN-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.4520)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004GLN-056GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-7.1530)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004GLU-039THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-16.3258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-010TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9787)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-031TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2666)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-032HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1357)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-040GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.7727)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-179LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7642)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-180LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2542)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-180LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9662)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-183LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5515)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LYS-030ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.2940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LYS-031ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8493)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LYS-323PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3527)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-116VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1022)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-135LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.9369)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-158LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8099)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-160PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7945)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-007LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1212)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-009TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.3790)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-026TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.5886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-029PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.3960)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-068VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-074ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0966)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-094LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2294)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-096TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.5767)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004SER-027VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6377)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004SER-030MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5687)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-078LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6345)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-132LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-12.9492)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-163LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-164GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-15.6907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TRP-014ARG-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TRP-016LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.5396)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TYR-075PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TYR-105LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4105)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004VAL-053LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.0584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ALA-019PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6974)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ARG-012GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-106.6359)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ARG-071GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-95.6139)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ARG-158LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.1207)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ASP-103GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-12.4852)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ASP-128ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-100.5180)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ILE-054SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2354)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ILE-234TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9982)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ILE-277LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4808)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-010TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-011PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.3649)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-015LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.9168)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-023GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8445)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-025ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5017)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-025LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5934)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-030ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.2041)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-030LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9145)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-032MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-037ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6805)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-068ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-077LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5246)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-083HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2203)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-106TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.9478)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-191TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0591)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-022VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7278)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-031TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2507)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-037PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6531)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-043TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.3269)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-049LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-050TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.9331)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-155SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7715)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-162GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.1593)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-163LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5194)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PRO-196ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1745)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005SER-028VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6439)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005TYR-166TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.2163)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005TYR-168VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-008GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5041)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-023LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4850)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-035PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4727)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-037ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4259)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-039SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2552)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ALA-078GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6734)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ARG-090TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.8520)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ASP-010THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=6.3356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ASP-116VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5858)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006GLU-010TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.7618)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-108PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8621)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-126VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5799)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-319TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5895)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-323PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0890)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-018ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-6.9173)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-039THR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-050VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8185)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-053LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9761)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-061PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.2790)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-163LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8872)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006THR-097VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6273)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006TRP-026TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5251)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006TRP-038VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006TRP-040LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0615)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-020VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8049)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-023MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6685)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-024ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-026LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-038ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3174)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-053LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6896)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-055GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.1427)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-175PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.8755)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ALA-011ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9901)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ALA-021PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ALA-049VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ARG-011GLU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-102.6321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ARG-062TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0333)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ARG-063PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.6680)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASN-109GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-18.9849)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASP-011GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=7.1958)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASP-119SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.6894)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASP-131ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-110.8597)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007GLU-033LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.6372)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007GLU-033LYS-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-99.7576)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-015LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9669)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-030LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4417)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-030LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5364)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-038TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7382)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-042LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.1561)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-097VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6989)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-017ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8622)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-026VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.1502)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-033LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5814)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-090TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-096TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1450)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-168HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7376)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LYS-011ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-112.7320)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LYS-093SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8196)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LYS-099THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6555)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-019VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-021PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.8932)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-021PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7192)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-022VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-024VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2180)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-035PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-084LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8102)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-091ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-111PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1832)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-157ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-160CYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007SER-010ARG-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-8.4136)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007SER-100ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.6761)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007THR-031LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007TYR-053TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.1220)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-022SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.9966)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-026GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-034ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6136)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-038VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7269)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-040THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-154GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7221)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-154GLN-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-191TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1833)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-248MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8037)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ALA-034ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3910)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ALA-035GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.8193)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ALA-038MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ARG-115SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-15.0705)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASN-030LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-24.9061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASP-018ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.7012)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASP-018ARG-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-111.0639)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASP-058ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4416)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-012HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8151)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-015TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1866)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-032MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6428)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-033PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-034LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2830)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-035TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-041TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0729)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-058PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.4255)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-062TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2618)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LEU-017ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6293)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LEU-088TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-043THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-14.3626)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-065VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-068GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.0145)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-068GLU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-105.9579)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008MET-158LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-042LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8688)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-044ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1653)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-097VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8556)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-099HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.4332)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-101HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.8865)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PRO-183ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-13.0457)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008SER-032SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.6447)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008SER-093TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4274)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TRP-035PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.4864)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TRP-250PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.1548)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TRP-252GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-20.3573)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TYR-052TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8697)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-039TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0295)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-041VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3874)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-066LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-072SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-080PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3576)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ALA-084LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5874)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ALA-091ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2388)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-023GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-95.7638)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-031TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-11.8502)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-092LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.3420)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-103GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=5.3009)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-106ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-89.3686)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-128ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.4551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-128ARG-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=59.7341)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ASN-024ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=9.1537)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ASP-021LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.5401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009GLN-068ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009GLN-072ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.3771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-013TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-038LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4723)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-052PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7645)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-092LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8685)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-092LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-105LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7758)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-108PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0284)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-155ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-013VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7192)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-033LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5316)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-039ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6742)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-041VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-041VAL-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4217)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-055SER-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7631)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-058ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LYS-137LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.5143)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LYS-171VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8750)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009PRO-069TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TRP-111ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-11.2069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-016GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=4.4542)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-029THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1293)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-033ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.6864)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-035SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5018)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-050PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.4762)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-053TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.6798)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-111ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-23.1594)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-121TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.8399)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-158ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.1312)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-301MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.9355)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-303TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.6530)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-021PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.9822)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-025ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5053)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-035ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6625)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-084ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4428)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-086TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4890)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ARG-039ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-100.5349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ARG-042ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-90.5243)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ARG-092LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0821)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASN-014GLN-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.7179)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASN-023GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-23.2131)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASN-088TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.7174)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASP-090TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-25.4110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLN-022MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.9982)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLN-102TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.8021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLU-014LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-68.0395)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLU-032SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=10.4398)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010HIE-015TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.2696)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010HIE-023ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010LEU-091ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010LEU-096TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010LEU-132ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9057)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010PHE-028ILE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6447)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-022LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.3187)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-025VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-032ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5473)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-032PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.9187)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-034VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-052TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3897)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-058PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.9097)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-081VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.5364)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-081VAL-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.5911)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-017GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=3.6516)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-049PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.4241)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-052TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.1942)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-163TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4066)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-027ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6696)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-028LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-034TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9296)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-040PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8637)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-044ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3629)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ALA-016GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8760)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ASP-091ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-18.0541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011CYS-042VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7417)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011CYS-042VAL-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8246)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011GLU-062TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=3.1364)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011GLU-100THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-8.7198)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011HIE-015ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=2.3335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011HIE-304SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=1.3712)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011HIE-306ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.9420)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-017LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4076)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-018ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5836)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-024ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6548)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-024ILE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5345)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-028LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2777)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-037LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.1424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-038TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1288)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-042LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6278)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-045VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5515)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-062HIE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9304)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-069TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9598)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-071GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1819)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-102TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-102TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7867)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011PHE-044TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0617)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011PRO-020ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4332)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011SER-223GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-18.6543)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011THR-017ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5009)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011THR-166GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.3463)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011THR-166GLU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-16.6518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-018ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-8.0455)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-023ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-7.8355)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-051GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-10.5628)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-102GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.7991)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-169ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3849)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-144PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1741)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-153LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5182)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-153LYS-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-155ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2318)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-055PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7220)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-059PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9844)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-108PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9803)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-139ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6142)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASN-048PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4287)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASP-024LYS-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-77.2765)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASP-026TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-7.4644)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASP-069TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=3.6871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLN-034GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-6.8635)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLN-044TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2122)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLN-048TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6775)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-017GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9901)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-019THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-17.2698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-068HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=12.5451)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-070TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.3395)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012HIE-015ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4046)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012HIE-033LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8894)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-016THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-018LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-028LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2714)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-044ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-046LYS-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.0591)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-046VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4682)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-024VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5781)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-027PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2845)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-033LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2799)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-035TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-039ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8077)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-047ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4606)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-057LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-062HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7294)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-064LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8406)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-065LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7921)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-070MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8148)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-074VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.1975)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-083ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1567)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-085ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8547)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-088TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6923)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-026PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.0053)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-040PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5691)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-116PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4958)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-163ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8054)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-166CYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2042)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012SER-138SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.7495)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012SER-166PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7305)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012TYR-087PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.4143)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-016LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4711)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-023LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3778)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-088PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-114PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0761)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-146PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9793)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ALA-096TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.4820)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ASN-149ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-7.4414)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ASP-016GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=63.0719)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ASP-023ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-117.7368)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-039ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-91.4836)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-052ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7266)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-056GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-22.1904)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-065LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.4380)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-069ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-115.6270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013HIE-032ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5027)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013HIE-095HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.7990)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013HIE-121TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-11.2033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ILE-017LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7854)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ILE-105ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4972)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-017ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2775)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-063ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5550)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-065PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.0330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-066ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5690)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-069LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7109)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-077LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-082VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5994)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-084ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5858)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-036VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8442)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-060TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.2901)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-062LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5689)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-063PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-083ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0448)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-085ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8239)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PRO-032VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.1778)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PRO-034GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5712)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PRO-129THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013SER-047TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4327)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013THR-164GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.9817)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013TYR-075LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8877)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013TYR-075LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-016PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7547)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-066LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8233)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-154ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-154ASN-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1519)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ALA-055LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ARG-083THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=2.4336)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASN-027ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASN-061LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-24.6091)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASN-137TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.5530)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASP-017ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-80.8346)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLN-093VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4053)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLU-036LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-121.2216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLU-069ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.6347)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLU-164TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-26.9401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014HIE-043TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5203)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-025TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8076)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-027ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4022)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-081PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2586)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-085ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4558)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-088MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9955)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-061GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-070TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8313)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-163ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6713)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-174PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LYS-023GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-124.6085)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014SER-017GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-15.9071)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014SER-084GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.7474)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-019GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.4809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-021PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7123)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-022LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6037)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-022LYS-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.9761)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-082PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.9131)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014VAL-091ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4689)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ARG-020ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-99.8453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ARG-164ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-019THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.0110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-048GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-7.0530)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-069ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.9994)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-149PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6565)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015CYS-057LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015GLU-019LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-106.3481)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-019PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4843)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-023LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4499)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-030LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9272)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-034LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4484)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-035ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7655)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-136HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-035TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9740)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-038LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5202)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-080PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-084TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3375)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-102SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.3783)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-047TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7344)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-047TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-13.4028)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-220ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-107.4182)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-223GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.4656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015MET-023LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015MET-023LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9488)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015PHE-039ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9114)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015PHE-044LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5434)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015SER-018THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.0385)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015SER-037LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5866)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-019ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7257)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-021MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-060HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-8.9849)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-061GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.5148)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015TRP-025THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015TRP-096TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.9540)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015TYR-034ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.0075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015VAL-060TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0864)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ARG-047PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.3165)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLN-048ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7147)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLN-098LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLN-101GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.1647)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLU-035TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.7144)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ILE-021VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2418)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ILE-145LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4959)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ILE-219PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9175)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-036LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2814)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-046ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3423)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-062LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2293)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-065LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6763)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-072PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6473)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-082SER-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.4427)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-137ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7043)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-141MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8376)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LYS-085GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-105.7492)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-034VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8564)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-036VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7958)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-132ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-176PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.9035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-192LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.2398)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016SER-031ASN-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.3571)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016THR-022MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2273)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016TYR-079ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6725)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-033THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3558)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-055PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9344)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-059PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4621)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-084ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ARG-056HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-8.6815)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASN-021LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-19.3318)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASN-029ASN-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-6.6987)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASP-049ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-76.8855)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASP-060HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-7.9302)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLN-024ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-8.0459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLN-093VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.2957)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLN-094ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-25.0523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLU-036TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.4257)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLU-072PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.8599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017HIE-033ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-20.3387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017HIE-035TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-6.0710)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-021LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-028LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7291)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-028LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3775)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-030PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9367)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-055HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.9586)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-149PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.6164)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-050ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-056PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6767)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-066LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.2239)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-083ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7554)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017MET-020LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4774)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-022SER-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.3487)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-025TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7339)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-077ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-7.5899)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-081PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.5629)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-084LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5063)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017THR-078GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-14.5187)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017THR-307TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8543)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017VAL-049LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7194)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ALA-023VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4427)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ALA-026GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.8933)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ALA-027VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4229)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ARG-057THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6023)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ASN-227ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0612)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ASP-032THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-19.8440)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ASP-034ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.1385)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018CYS-132HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.0721)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018GLU-074ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.9061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-022GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2980)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-052VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5296)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-055ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-055PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1210)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018LEU-039ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=1.5421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018LYS-024TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.5538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-060HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7950)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-085GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5724)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-086VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-139LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8670)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018SER-024LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3439)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018SER-040GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-17.9269)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018THR-035ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5761)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018VAL-034ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018VAL-164TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6489)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018VAL-166ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ALA-055HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5306)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ALA-058TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3156)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ARG-027ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=59.9535)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ASN-053VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1864)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019GLN-026GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.0137)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019GLU-022LYS-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0299)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019GLU-025THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-17.1708)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ILE-051VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6968)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-037ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6112)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-041VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9313)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-061ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-062LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8745)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-062LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9732)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LYS-027VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6436)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LYS-031HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6655)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LYS-071GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-116.6801)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019PHE-049LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8324)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019SER-023ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.0135)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019SER-023ARG-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-6.0059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019SER-026ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-14.5606)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019THR-022MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3507)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019THR-035GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9810)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019THR-035GLU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.7821)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019TYR-050TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.7505)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-027ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7170)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-058VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.1681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-075LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4130)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-081LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5358)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-137ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-138VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.1047)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-138VAL-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5051)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ASN-039LYS-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-25.1683)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ASN-040LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-23.9384)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ASP-082LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-79.6104)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020GLN-036TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.8804)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020GLN-059ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.2325)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020HIE-062ASP-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=10.4891)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020HIE-068LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.3081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-023VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3958)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-032THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-082ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5146)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-309ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3906)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LEU-024VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9999)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LEU-038ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3532)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LEU-042VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.9230)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LYS-040GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-121.5933)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PHE-135PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.4236)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PHE-149LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1279)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-023ARG-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.8987)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-177PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0331)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-178LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-181ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2630)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020SER-058VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2148)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020SER-091ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6008)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020VAL-029TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8269)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ALA-039TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7653)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ALA-057VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ALA-100ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ARG-033THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6140)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ARG-035GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.5856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ARG-035GLU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-91.5920)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021GLN-024LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-22.5412)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021GLN-024LYS-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3231)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021GLN-057TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.9600)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021HIE-061PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.2135)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-031HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5800)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-036VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6180)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-038VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1721)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-041PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5338)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-077LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.1213)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-088ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7954)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021LYS-032TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-11.6474)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021LYS-039ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021MET-058TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.9441)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021MET-062GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8364)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021MET-069ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2708)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-025GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.1712)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-038VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7275)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-054ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8962)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-060PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-072PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.8752)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-072THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8811)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-076VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-079ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1783)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-082PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.8940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-097LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7366)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-097LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7946)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-113ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2381)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-131VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0472)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-251HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.1992)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-260ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0515)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021SER-142ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8264)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021THR-148GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.1421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021THR-150LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9488)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021TYR-088PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.8141)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ARG-072GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-106.0361)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ARG-073GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-87.9218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-028GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=2.4668)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-046MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.9265)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-055ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=8.3925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-058GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.8326)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-147TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.5827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ILE-072HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0509)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ILE-074ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=1.5453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-057THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-058PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3535)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-062ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-065LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-081LYS-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8344)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LYS-086ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8530)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022MET-041VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7134)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-027ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-031ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5464)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-039TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.9949)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-040ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6073)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-041PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7509)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-064VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0951)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-069VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-069VAL-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6283)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-099ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8997)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-166ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2586)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-168TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.8508)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022SER-121LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7136)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-026THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-039TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.2107)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-040TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.4606)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-043ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0260)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-055LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.0718)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-059VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3675)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022VAL-067LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022VAL-079TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022VAL-079TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ASP-027ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-105.7857)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ASP-042ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-120.8824)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ASP-057ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-115.2892)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLN-177PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.9402)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLN-217THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-6.2266)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLU-028LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.2502)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLU-046LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-110.1701)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ILE-060PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6564)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-035PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-035PHE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9696)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-036ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-055ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5080)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-097LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6413)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-029GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-80.0313)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-029GLU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.3603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-064TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-7.8845)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-064TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5064)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023MET-038ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0305)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023SER-051ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=1.7498)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023THR-085ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3811)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023TYR-026LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023TYR-031TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.5509)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023VAL-041ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2572)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023VAL-055LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8121)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ALA-034ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3839)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ARG-073ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-16.2339)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ARG-076GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-109.2422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-027ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-24.7298)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-027LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.2868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-029ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9078)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-034TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.1757)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-056PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.0952)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-058TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.6887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASP-065HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-26.9359)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024CYS-100ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.6691)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-040HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-25.4952)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-041LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0595)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-050ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.4702)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-054ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-105.0463)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ILE-055TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9428)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-028GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-028GLU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.3972)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-029GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.0808)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-031LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0746)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-032VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5260)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-054VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6143)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-260ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2193)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-261ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2491)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LYS-057TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1619)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LYS-069TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.2579)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LYS-069TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-9.8392)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-089LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2487)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-089THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-099TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.2280)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-100SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0283)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-130LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024SER-038THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=4.1451)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024THR-041GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.8197)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-032HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-049ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-054PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0275)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-079PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.2276)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-142VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5281)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-143GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ALA-035TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9022)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ALA-037ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7905)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ASN-181ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-7.4617)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ASN-183THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.8866)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-029LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2589)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-036THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=1.1431)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-039TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.2815)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-260ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-274ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-028VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6070)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-036VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6139)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-056LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3833)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-059ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.0688)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-084ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.0810)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-084ILE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4295)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-090ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5251)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-091VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4879)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-055VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5143)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-060PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8750)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-075ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7874)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-075ILE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025SER-035ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025SER-075ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=4.3427)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025SER-100ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3539)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025THR-045THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.7597)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025THR-100TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3999)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025THR-103LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-17.3540)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-038MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7757)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-135ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1585)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-144LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0191)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-146PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.6609)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-152GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-22.2862)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TYR-080ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.5226)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TYR-081PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.1373)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TYR-084LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6140)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-029TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9076)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-057VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-069ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-083GLU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6522)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-185ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7830)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASN-054ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-7.5295)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASN-055ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2276)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASN-058GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-15.5241)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASP-042PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3026)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASP-077PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.6915)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLN-065HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLN-065HIE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9327)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLU-042HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=13.5651)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLU-057TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-25.0981)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLU-059ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-98.9875)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ILE-037TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ILE-078ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4220)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-037PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7041)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-039ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9142)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-040GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.9918)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-041VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1942)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-135ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8882)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-029PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.6307)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-099ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-103HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.1137)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-168TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5373)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-030TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.0279)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-036PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8591)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-118ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2746)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-217THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.4169)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026THR-031LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4466)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026TYR-062ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0116)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026TYR-069TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.7690)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026VAL-041GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.4157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026VAL-041GLU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.2304)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ALA-074LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8855)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ALA-102ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2962)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ARG-049GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-96.5211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ARG-055THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.3573)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ARG-094ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-97.2164)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ILE-039THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6903)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ILE-046PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7210)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ILE-075LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5411)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027LYS-089LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-030ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5297)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-057VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.1205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-069SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.0828)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-071VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0009)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-078GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.5746)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PRO-032MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0911)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027SER-034ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7219)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027THR-036SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.7200)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-070TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.5614)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-085ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5620)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-086TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4709)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-088ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.1026)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-090THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ALA-038VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2605)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ALA-041VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3441)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ARG-031GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-17.3952)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028GLU-072HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-25.0760)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028GLU-097LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-113.9083)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-036LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5471)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-091VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6187)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-106VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.6582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-151VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9371)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-037VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8057)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-055LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.3708)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-058ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9293)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-059ARG-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8914)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-061GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1345)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-133PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7407)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LYS-067TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.6860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LYS-317ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-21.0334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028MET-031ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.9367)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028MET-037ARG-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028MET-040HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.6656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028PRO-058LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8623)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028PRO-111LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1367)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028SER-055THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.8913)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028SER-056GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.6274)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-031THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=2.0841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-036MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=1.2883)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-038VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-058PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.4575)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-085GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3792)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-086ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2755)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-105PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8104)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-128PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4152)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-170LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.0425)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ALA-274ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7189)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ASN-034LYS-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-26.9824)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ASN-179SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.2950)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ASP-070ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=82.2209)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029GLN-033ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=5.1795)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029GLU-045LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.3248)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029GLU-055SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-18.7988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-034VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5746)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-036PHE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.2145)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-040GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7929)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-045GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2619)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-095TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4984)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LYS-035GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.7532)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-094LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-101TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6631)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-103HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4352)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-168TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.2342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-177ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4272)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PRO-085GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-10.4552)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029THR-121TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6166)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029THR-121TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.6317)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-302SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0593)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-305ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.6715)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-308ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-8.9671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-315PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.1118)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TYR-049GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.3962)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029VAL-036VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5674)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029VAL-054LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029VAL-087LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.1082)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ALA-274ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9179)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ASP-320ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-101.0153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLN-034TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8098)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLN-034TRP-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.4585)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLN-036MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.2981)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-033GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-15.9106)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-034ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=67.4094)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-038PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2877)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-042PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-049PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.4515)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-061LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-114.8275)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ILE-034LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6423)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ILE-055ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=1.1190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ILE-093TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1736)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LEU-034LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6711)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-078TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-7.3274)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-083GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-118.7560)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-085GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.6446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-169THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-16.3894)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-042LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8944)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-044ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-061GLU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4056)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-151ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.7359)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PRO-057MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3299)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030SER-109GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-17.7955)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030THR-121LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.8211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-033THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6362)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-036PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.4198)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-042GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-20.9974)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-046LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.9804)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-073PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2056)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-079LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5824)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-103PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.5428)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-171THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8600)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-176SER-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.9208)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-212GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-18.1033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-213GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.0720)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-216SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-217THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030VAL-033VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.1566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030VAL-044LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6304)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030VAL-050ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8725)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ALA-088VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ASP-034HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=20.7542)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-035LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-037SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-6.2259)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-109LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6849)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-125LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0336)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-128GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-14.8809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ILE-034ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6515)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ILE-097TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ILE-246ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2504)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-091LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4638)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-125LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6550)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-168LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7309)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-213GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.7304)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-060THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8784)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-061ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-062HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-076ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6178)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-092TRP-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.9610)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-095TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.5466)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PRO-097VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4634)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031THR-085GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-17.1213)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031THR-128PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7052)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-060ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-23.6547)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-164VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.9625)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-168GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.5393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-168GLN-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.3463)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-171ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TYR-037PHE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.0034)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TYR-048HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.4190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TYR-051GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.3665)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-056PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9499)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-068LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-071VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7372)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-073VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6433)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-077ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2089)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032ASP-040HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.6077)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLN-116ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-21.1617)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLU-035ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-114.8529)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLU-169THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.3683)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLU-169THR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-17.0603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032ILE-036GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8876)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032ILE-065LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.6723)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-080GLU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-107.2998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-083LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-091LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.6961)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-091LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6880)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032PHE-058ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.3187)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032PHE-081VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9355)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032PHE-095LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.1475)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032SER-057GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-16.1617)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032THR-093LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032THR-094LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0034)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032THR-128LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4425)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-062ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-073PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.1265)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-074VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-083ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-7.6864)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-042ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.3131)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-052VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2892)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-056HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9099)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-068LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5474)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-080ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.1607)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-100VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3614)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ARG-189PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.1180)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ARG-191LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8814)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ARG-191LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.3485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ASP-276SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-17.5943)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ASP-279LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-121.7246)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ASP-279LYS-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.7275)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033CYS-047TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.5237)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033GLN-092ASN-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-7.8709)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033GLU-036ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-116.7280)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033HIE-060MET-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.4252)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033HIE-062THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=4.2173)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ILE-037ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.9853)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ILE-061VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-053VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-059ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9073)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-061PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0358)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-089ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7778)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033PHE-058PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1440)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033THR-100GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.0035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-062HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.0634)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-091ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-8.2508)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-094ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8676)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-094ILE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4415)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033VAL-048ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8969)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033VAL-055VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4058)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033VAL-091ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6577)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ALA-133LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9567)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ALA-152GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.0664)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ARG-060TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-15.9431)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ARG-064LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8917)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASN-076SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5729)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASN-078TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.1323)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASP-037PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.9856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASP-061ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-81.7080)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034HIE-057HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2405)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ILE-037TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LEU-038TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3238)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LEU-044TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4307)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-068GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-108.3052)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-070TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1244)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-070TRP-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1099)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-086TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7041)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-086TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-6.8338)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-045TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.9244)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-058CYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.0784)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-062HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9614)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-069MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.4126)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-072LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0074)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-100VAL-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.5142)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PRO-065ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9017)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PRO-075PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4702)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034SER-105LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5764)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TRP-037TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.0943)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-136ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2683)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-143MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.2079)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-148VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-277TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.6552)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-046LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4813)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-048PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-072VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4869)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-077LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-111LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0173)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ALA-065LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9003)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ALA-067ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.1548)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ARG-041THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-13.4137)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ARG-042VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ASN-172GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-10.5196)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ASN-174TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4144)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ASP-046ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-98.5841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035CYS-038CYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=1.7061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035CYS-154THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.8885)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035GLU-189PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5331)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035HIE-059ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1706)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035HIE-059ARG-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.9749)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035HIE-061ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.3822)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LEU-061PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8707)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LEU-085LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LYS-083TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.3975)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LYS-090GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.9596)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-047TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.5017)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-062THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.9925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-097LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4700)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-111PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.3234)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-128PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.7264)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035THR-112LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8056)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-045HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3317)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-058PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.2905)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-064ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9482)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-157VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5859)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-161LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-16.7853)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ARG-042GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-109.6076)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ARG-162GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-18.8545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036CYS-039CYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.0920)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLN-040HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.1316)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLN-105LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6135)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-039ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-118.6159)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-039LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-113.5045)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-045LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-053VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6726)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-056ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-81.4413)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036HIE-063LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8657)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ILE-040THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ILE-061ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9238)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ILE-063TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-039MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-041ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4836)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-046PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5917)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-046PHE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7984)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-047TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.2193)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-098ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6431)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036MET-049LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2054)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036MET-054VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=2.9293)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036PHE-075SER-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.2694)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036PHE-113ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.2049)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036PHE-303TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8474)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036SER-069THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.1959)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036THR-090GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-19.3101)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036THR-104MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0074)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036THR-133PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6322)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036TRP-047PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1918)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036TRP-049PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.1616)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036VAL-060TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5357)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036VAL-070TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.3526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036VAL-086TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ALA-056ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4653)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ARG-152GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-119.0108)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASN-040THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=3.2648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASN-067GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.8764)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASP-040ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-79.4551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASP-064TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-18.6342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037HIE-050GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-24.4533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-116PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8595)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-125LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9316)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-162PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7003)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-165VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4623)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037LYS-162PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0918)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037PHE-048HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8649)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037SER-043ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-6.2708)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037THR-053ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.5812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037THR-085LYS-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.5941)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-050ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.6265)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-053LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3602)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-055LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-15.5371)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-055LYS-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9580)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-046THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1203)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-050LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.9082)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-066LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-068VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ASN-199LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4914)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ASN-202PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.1763)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038CYS-095PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038GLN-042ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-21.5185)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ILE-085ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6602)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ILE-094LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.0110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-045PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8850)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-047TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5981)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-054LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5801)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-109SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7184)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-109VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2643)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LYS-047PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.3759)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038MET-041LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5575)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038MET-146PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.6696)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-042PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.2843)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-042VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.2597)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-046ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.3263)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-049PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6106)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-061VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8437)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-061VAL-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3264)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-101PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PRO-108ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.9160)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038THR-053PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9559)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-063TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.7671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-065PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.9371)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-068TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.3292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-073ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6187)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-078ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9539)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-081TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.9787)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-082ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-132ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2942)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TYR-060TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.8061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-041VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2906)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-072PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8690)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-082PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8803)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-083ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2773)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ALA-095PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.3738)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ARG-043ASN-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=5.1038)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASN-042ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-21.8383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASN-081SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7038)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASN-083TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0285)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASP-057THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-17.2272)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039GLN-047ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-16.0566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039HIE-057HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=8.8082)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-054LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0908)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-055TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-108ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9052)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-109CYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=2.0211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039LYS-043HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039PRO-165PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.3606)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039PRO-166ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039PRO-199LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039SER-054GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-17.7540)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039SER-067GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-19.0661)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-046THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.4002)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-077LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3381)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-079LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9014)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-083VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3966)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-052SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.0360)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-064VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2264)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-066LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.0214)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-066LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.2945)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TYR-043ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.8110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039VAL-083TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.2297)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASN-073PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.0241)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASN-077TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.5117)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASN-090ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-10.3939)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASP-065THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=2.2000)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040GLU-045GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-18.7837)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040HIE-103HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-10.4991)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040HIE-105LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.0368)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ILE-054VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ILE-057LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6963)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040LEU-063TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1064)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040MET-085ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.5869)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040PHE-052TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.4753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040PHE-116PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.3287)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040PHE-133PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.9243)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-044TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4362)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-048VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-162GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7222)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-186TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6577)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-270TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7414)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-052GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.4330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-055LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-121ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.3853)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-121ILE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6727)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-122THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.6001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-045TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.7731)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-055VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0800)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-076VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2675)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-079ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-082PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2374)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040VAL-063VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ALA-047TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.5120)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ALA-081GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0452)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ALA-121ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4235)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ARG-051PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.7394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ASP-084ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-92.5892)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041GLU-045LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-107.6226)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-058ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.0464)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-061PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8198)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-107PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5667)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-107PHE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4458)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-146PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-155PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9450)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-162PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.0861)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-170TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7520)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LYS-045GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4838)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LYS-107PHE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.5444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LYS-110SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-19.3054)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-047SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7227)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-054HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.6824)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-073ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7310)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-077LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9341)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-094LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-6.8232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-094LYS-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.4124)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-104VAL-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.9273)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041VAL-059LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8203)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041VAL-064LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3208)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ALA-082ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2721)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ASP-045THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-19.5070)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-095PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.2711)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-101PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.2424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-103PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-6.6904)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-121ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.8997)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ILE-049PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ILE-052PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ILE-056PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.9673)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-047ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5217)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-048ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1245)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-048VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9614)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-103HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8376)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-105LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5552)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LYS-049GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-123.1549)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-049PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3514)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-054PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.2926)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-056SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1807)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-061LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6999)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-064LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4344)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-074LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.3998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-077PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7815)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-085PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-087LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2807)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-088ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.7533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-089ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2770)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-089MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.9811)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-092TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.8370)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-101VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0094)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042SER-058ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2770)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042SER-062ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=4.1145)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042THR-052ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.6644)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042TRP-049ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-12.5930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ALA-073PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5725)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ALA-077TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3689)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ASP-054HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-25.5881)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ASP-058ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-119.3317)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ASP-062TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.1306)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043GLU-104ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.2286)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ILE-055LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.0384)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-050PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-055THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5838)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-071PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8858)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-114SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-161TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.2017)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043MET-048ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043MET-060VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043PHE-065PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8045)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043PHE-068TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.1272)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043PHE-073PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5333)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043THR-059LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-048GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.6555)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-049THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-068LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.3308)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-185HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.7716)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-186TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.5763)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043VAL-066LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3504)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043VAL-069VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7479)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ALA-052ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1247)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ASN-048THR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.7448)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ASN-059THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.3075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044GLN-061LYS-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-28.0180)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044GLU-084ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-94.9314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044HIE-067HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.9979)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044HIE-073TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.6835)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044HIE-086GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-25.8638)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ILE-101HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5675)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-079VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-101ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5632)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-272GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.0928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-272GLN-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044MET-061VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044PHE-048LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2066)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044PHE-130VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.1896)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044PRO-053ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.7493)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044SER-093ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-14.4137)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044SER-118ARG-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-10.6996)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044THR-118TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2960)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TRP-048TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.7154)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TRP-085PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.1390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TRP-147TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5403)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-048LYS-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-15.9660)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-059ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2727)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-077LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6634)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-109LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5057)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044VAL-174MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5999)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045ALA-054HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045ALA-071HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.3291)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045ASP-081GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=89.5851)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045GLN-062LYS-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-24.2454)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045HIE-051GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-23.7710)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045HIE-053ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.2019)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-049GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-049TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.0910)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-054PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1137)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-055ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.7871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-070PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-097LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LYS-048GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.6236)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LYS-084GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-72.2971)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-057GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-7.6944)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-061VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6323)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-066PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.0186)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-075LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-10.3469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PRO-080VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5303)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PRO-100VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7055)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-048ALA-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5861)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-066VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5280)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-097SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4636)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-168LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2060)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-048ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9688)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-049ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-100VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1760)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-272GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.9777)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TYR-053THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.1584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-050ASP-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-95.3630)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-092TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.8254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-182GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-76.7548)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-273GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-114.2217)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ASP-083ASP-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=55.3951)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ILE-071GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7737)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ILE-074LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=9.9619)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046LEU-068ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046LEU-103PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1179)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-050LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.0711)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-084LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.9647)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-088MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.0057)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-107PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.9408)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-119GLN-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0626)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-121LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.9030)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-161TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.3887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PRO-140ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5730)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PRO-141ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9079)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046SER-054PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.5006)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046SER-088ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-6.0277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046THR-069ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.2735)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046VAL-094PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ARG-050GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-81.8788)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ARG-059MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ASN-062LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7993)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ASN-276PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1913)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ILE-064LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047LEU-055LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047LYS-059ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-113.9699)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047PRO-164TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.9822)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047SER-065PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TRP-081GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-9.5647)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TRP-083TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.1592)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-052PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2348)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-053ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=1.5788)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-055ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-058TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.2314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-075ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.0155)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-077HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9060)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-111PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7147)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-136TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=2.9108)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ARG-060MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ASN-052ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.6113)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ASP-081THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-19.5283)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ASP-131LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-115.1945)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048GLN-070SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0669)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-052PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5409)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-091ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-6.3593)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-099HIE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.1987)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-174MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.9820)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-178ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-26.5406)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ILE-052ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1039)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ILE-272GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ILE-279ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0543)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-070PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-070PHE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1568)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-074TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-074TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-077GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6710)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-141PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3970)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LYS-082ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9121)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LYS-098GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-110.1385)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048PHE-058PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.9945)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048PHE-101LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7781)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048PHE-105TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8665)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048VAL-093THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2846)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048VAL-095LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6619)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048VAL-099ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7987)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ALA-092TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2688)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ARG-167GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-20.8117)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049GLU-080ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-92.4735)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ILE-059ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.3964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ILE-070PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1920)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ILE-100VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7283)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LEU-054VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5164)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LEU-107PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7761)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LYS-121LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9243)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LYS-158ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-6.5986)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-056PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8143)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-057GLN-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.3253)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-091ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-093VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.9620)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PRO-052TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0826)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049THR-053LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7030)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049TYR-054PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4802)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049TYR-098GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=3.6258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049TYR-102ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.4208)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-053THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7038)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-124GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7610)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-127LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-131VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7287)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ALA-081PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1086)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ARG-054THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-12.2641)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASN-083TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2489)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASP-053THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-18.9148)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASP-067PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.4770)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASP-092TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-24.3076)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050GLN-055TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.7090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050HIE-065PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.3594)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050HIE-087TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-11.1040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ILE-053ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7055)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ILE-071PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ILE-079VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.1941)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050LYS-056GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-111.6476)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PHE-071PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6943)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PRO-053TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PRO-058PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.9464)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PRO-096TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.1488)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050SER-066PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2096)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050THR-143THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050TRP-054GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-6.5955)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050VAL-054THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=1.7037)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051CYS-154LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-8.0778)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051CYS-156THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=1.6525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLN-089GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.4128)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLN-089GLU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-24.6197)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLN-098TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.4333)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLU-056MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4748)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLU-056MET-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.2392)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051HIE-277ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-24.2481)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051ILE-068LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1439)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-055ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.9757)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-080ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.9306)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-096TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.0040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-131LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0707)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-058VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5148)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-091ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.8446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-091ARG-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.0187)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-175PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051THR-152PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3380)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-093VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7696)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-095LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7340)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-097ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-7.3196)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-097ARG-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.4919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-107PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.3323)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051VAL-071ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7562)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051VAL-104ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5660)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ASN-061ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-7.0311)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ASN-143THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=1.7445)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052GLN-069ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-9.8459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052GLN-117PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1579)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ILE-056GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2562)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ILE-087VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.0020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ILE-100VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3097)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-060LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5516)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-062PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-062PHE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6906)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-070PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-141PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4839)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-152PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8409)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-056MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.1384)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-061CYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4022)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-071PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4116)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-073THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3972)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-075ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4609)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-111PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-141MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.5877)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-148ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1137)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-157ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4139)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PRO-109LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052SER-063PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1906)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052TYR-058PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8221)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052TYR-061ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-24.9178)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052TYR-116PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.9871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052VAL-057SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3461)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ASN-063SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.4193)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ASN-131VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4438)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ASP-058TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9339)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-066LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2126)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-069PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3226)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-075LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2591)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-077LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7960)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053LEU-057PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1332)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053LEU-091ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8151)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053MET-140ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-6.1455)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053SER-089GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-19.6178)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-059LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5227)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-083ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-25.5926)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-092TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.6272)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-094LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.1246)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-142ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4461)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-169MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.8669)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-057ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.3274)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-068PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6118)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-074ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-117PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054ASN-069PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.6812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054ASN-141ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=1.8955)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054GLU-057ARG-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-93.9575)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054GLU-058ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-117.8518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054GLU-141GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-13.3432)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054ILE-074ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.1187)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-061LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9852)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-063PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-069VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4751)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-091LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9744)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-091LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.2153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054PHE-101ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8272)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054THR-057ASP-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=1.2665)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054VAL-091ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2921)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054VAL-097ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5540)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASN-058GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.1703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASN-058TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8595)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-069ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-117.9952)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-104LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-86.2801)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-105TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-10.7235)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-185ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-112.0656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055GLN-272GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=5.8208)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055GLU-121LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1756)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-059ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-061CYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9571)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-151THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1303)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-155ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.9846)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055LEU-060VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055PHE-139ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1991)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055PHE-141GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8002)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055PHE-141GLN-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.9566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055SER-071PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055SER-152PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.9438)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055THR-072THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.2237)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055VAL-059ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6577)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ALA-061VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5828)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ALA-175PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ARG-061LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056HIE-287LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0942)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056HIE-287LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5412)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ILE-059PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ILE-059PHE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4442)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056LEU-069LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5450)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056LYS-160ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-109.5343)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056MET-059MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056MET-181ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056PHE-062PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6089)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056PHE-129PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.1306)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056PHE-152PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3984)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056SER-076LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5426)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056TYR-062TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.9039)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056TYR-064VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.1939)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056TYR-084ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.1053)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057ARG-067VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5835)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057GLU-061ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-88.6551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057MET-060MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-060LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3643)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-066ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3695)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-098VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8492)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-116PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3002)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-163ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3927)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PRO-063TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7193)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057TYR-091LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.8918)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057VAL-084ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.5859)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057VAL-084ASP-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.3886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057VAL-181ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2814)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ARG-062LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0101)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ARG-141GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-10.0224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ASP-279LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-108.5339)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058GLN-067PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7901)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058GLN-067PHE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1915)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058HIE-067GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058HIE-115GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.1651)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ILE-097TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.9721)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LEU-071VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9384)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LEU-084LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2565)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LEU-094GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LYS-122VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.4652)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-062ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-062TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.9055)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-070TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.3065)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-081PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.5314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-101ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.2695)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-131VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6707)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TRP-084SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.8001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TRP-180SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2416)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-062GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1780)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-062GLN-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.5726)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-062LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-8.6852)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-066VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-068ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8183)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-077ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2626)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058VAL-085ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3756)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ARG-065MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5765)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ARG-067GLN-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-23.2062)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ASN-062LYS-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-27.3371)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ILE-068ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ILE-094LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6913)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LEU-117VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LEU-117VAL-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3756)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LEU-119GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7364)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LYS-063ASP-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-115.8279)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LYS-075TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-7.6572)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LYS-135ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.5021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-063ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.1018)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-118THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5927)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-120TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.0664)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-127ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0879)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059THR-088TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1945)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059VAL-084LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0805)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059VAL-136TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060ALA-081LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7877)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060ASP-165ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=77.7981)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-068PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7979)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-095PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0665)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-095PHE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0844)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-098VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5895)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-120VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2637)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-152PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2177)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060MET-070GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.6393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060THR-087LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-18.1585)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060THR-176ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-13.0204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060TYR-064LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3156)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060TYR-128PRO-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7892)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060VAL-063TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3217)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060VAL-157PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9609)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ALA-080ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3161)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ARG-083GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.7278)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ARG-083GLU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-91.6229)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ARG-084LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5713)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ASN-065ASN-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.8677)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ASP-065LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-6.6026)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-080ARG-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-78.0458)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-088PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.1959)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-142MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-8.1962)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-145LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8588)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-064PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0637)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-086ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2432)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-089MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5132)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-091ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.1863)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-092TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4322)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-098LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-155ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.7319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061LEU-065MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7065)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061LEU-079ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-068VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7540)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-086VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-086VAL-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8963)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-099ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.6481)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-117VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PRO-088PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5763)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061THR-081THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4660)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061THR-083GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-15.7854)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061TYR-066LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.4001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061VAL-064TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5136)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061VAL-066VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.1230)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061VAL-068ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0511)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ALA-070MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5017)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ASP-080ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-86.6384)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-110GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-6.6999)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-112PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5564)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-171PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=1.5999)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-173TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.8152)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-173TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8520)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-070GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-7.8989)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-072LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0380)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-073TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=3.8901)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-076ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8932)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-067ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4291)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-069TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.3551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-105TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6378)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-107PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9529)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LEU-075ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4495)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LEU-077ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8428)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LEU-079LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6488)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LYS-067PHE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.0844)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LYS-147GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.5915)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062PHE-120TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.9766)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062PHE-128PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2296)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062THR-099ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-10.0695)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062THR-102HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4345)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TRP-073ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.0152)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TRP-164PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.6350)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TRP-166PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4091)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-077PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.5423)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-083GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-22.6340)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-084ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2559)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-093ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-095TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.6016)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063ASN-081THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.3372)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063GLN-067ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=12.2648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063GLN-136TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.7259)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063GLN-165ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-9.7559)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063ILE-077LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4347)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063LEU-068HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5783)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063LEU-108LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6895)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063LEU-140LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3489)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-090GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-090GLN-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0637)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-091ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-094VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0939)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063THR-092TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6574)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-081TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.9020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-085MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.6537)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-098LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-136PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063VAL-067LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6148)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063VAL-154THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6782)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064GLU-111TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-072PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5125)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-084TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.2008)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-084TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.3894)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-090TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2863)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064PHE-097PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4411)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064PHE-123THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1645)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064PHE-125TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.4079)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064SER-171PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=1.4035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064THR-116PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-068LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.3622)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-078PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.7598)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-082VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3034)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-083LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2076)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-164PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.0510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064VAL-073ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2778)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064VAL-143GLN-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.9777)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065ALA-070PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8749)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065ASN-110GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.2356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065ASP-110GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.3236)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065GLN-088TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3316)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065LEU-077VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065LEU-080VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1388)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065MET-117PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.5950)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065PHE-095LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8187)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065PRO-101LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6979)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065PRO-111TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.1815)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065SER-068TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.4724)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065SER-108TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.1179)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065THR-069ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6833)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065THR-082LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3534)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065TRP-146THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1921)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065TRP-154THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7280)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065TYR-090PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.0888)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ALA-084ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4579)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ALA-136TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5710)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ARG-167GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-118.1685)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ASP-069ARG-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-93.2379)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066GLN-070ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.8739)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066HIE-069GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.8678)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ILE-146VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7680)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066LEU-073PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1684)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066LEU-138THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5918)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066PHE-075LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066PHE-109SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3137)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066PRO-095TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.6168)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066TRP-109TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066TRP-110PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.0633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066VAL-085ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.0228)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067ARG-077ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.0373)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067ASP-070ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.5308)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067GLN-115GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.9148)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067GLN-117PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.6684)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067GLU-139TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.1093)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067HIE-070HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.9689)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067HIE-086GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.5005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067LEU-078LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8650)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067LEU-107LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8169)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067LEU-109VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6057)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067PRO-095TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.8674)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067PRO-101ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067SER-073TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6634)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067THR-080TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1587)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067THR-082VAL-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9955)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067VAL-085ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=1.6237)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ARG-072THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-12.5642)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068HIE-075LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-10.6495)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068HIE-080GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=1.7558)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068HIE-123ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-26.1787)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ILE-072LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.3422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ILE-084TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.9926)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ILE-091LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2451)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068LEU-081VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6120)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068LEU-146PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2595)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068MET-131LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.0696)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-076LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.1687)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-076LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3650)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-077ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6913)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-077VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9188)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-080LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0231)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-080VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1141)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-083LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9707)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-110LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8874)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068TYR-073ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0549)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068TYR-078ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.4773)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068TYR-082HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069ARG-075ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.0568)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069ASN-119VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7881)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-076ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0862)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-076ILE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-6.6037)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-078ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-117.1457)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-123ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=61.6725)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069HIE-075ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9502)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069HIE-078PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.1970)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069ILE-101ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.2795)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069PHE-078GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.9383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069PHE-080TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.4790)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069PHE-166TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=1.4134)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069THR-080LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6108)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-073TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.8670)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-086GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2071)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-086ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6745)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-114VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5617)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070ASN-080GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=7.3887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070ASP-076THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-15.0895)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070GLU-073LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.0832)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070GLU-073LYS-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-92.1438)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070MET-075ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2331)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070PHE-120TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.7861)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070SER-082VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9066)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070THR-120ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=5.6435)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070THR-124THR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.8101)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070TRP-084VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1070)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070TRP-138LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.5624)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070TRP-174PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.4412)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071ASP-074LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.0802)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071LYS-195ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.3582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-080ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0947)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-080LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0782)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-086ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6824)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-108ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1475)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-114SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3695)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071SER-082HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.8257)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-076LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-078GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.8480)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-099TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-7.0233)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-100SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.9291)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-125PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.3532)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-165ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3718)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-166TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.3163)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-077ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4720)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-083ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-085ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4579)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-119VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.0706)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ARG-116ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-93.6498)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ARG-118TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-6.1482)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ASN-075ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-18.4206)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072HIE-093TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.1567)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072HIE-095PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.1102)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-077PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5140)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-082HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8480)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-116PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0246)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-116PHE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072THR-175GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9284)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072TYR-076ARG-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072TYR-127ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5747)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072VAL-176PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8027)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ARG-076LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.3125)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ARG-119ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-102.5096)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ARG-163ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6000)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ASP-135ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-110.7455)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ASP-193VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.4273)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073GLU-077ASN-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.2720)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073GLU-119SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-19.0536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ILE-128ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073LEU-120TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0683)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073PHE-077TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.7699)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073PHE-079LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8397)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073SER-090SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5230)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073SER-178SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3764)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073TRP-089TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.5674)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073VAL-111ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ALA-083TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9820)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-130TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4346)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-135SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-135SER-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-12.5499)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-136GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.6171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-147TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8298)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-147TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.9425)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074GLN-094ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.8155)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074GLU-096ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-61.4757)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LEU-079TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2620)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LEU-102PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4136)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LEU-107PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.5196)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LYS-127ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7065)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074PHE-080LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.4314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074PHE-083HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.9941)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074SER-091PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074SER-111GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-20.6021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074VAL-080TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.5017)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074VAL-083ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8592)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074VAL-190LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4975)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075GLU-079GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-12.6173)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075GLU-079GLU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=76.1271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075ILE-080ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8162)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075ILE-112LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5297)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075LEU-094ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6132)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075LEU-111LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3750)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075LEU-111LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075PHE-093PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8054)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075PHE-182ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.2496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075PHE-184PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3573)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075SER-078TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075SER-111ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-17.0441)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075TRP-176ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.7431)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-079GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-96.4574)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-120TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.7956)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-208TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8284)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-208TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-6.0143)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-084LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-089TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-25.9911)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-091PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4629)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-188GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-20.4503)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076GLU-170LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.8461)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ILE-094ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076LEU-086MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076LEU-117ILE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.1247)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076LEU-123THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5591)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076PRO-111TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076PRO-112LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.1348)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076SER-082PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5118)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076THR-090SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.5853)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-125ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.4749)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-125ILE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3729)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-136TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.9119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-139ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.2520)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-143TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.3928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ALA-096ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ALA-138ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4970)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ALA-138ARG-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2447)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ASP-080ARG-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-85.1210)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077HIE-111LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0508)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-102PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9123)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-112ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9057)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-125VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1876)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-128TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-128TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4783)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077LEU-093VAL-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2230)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077LYS-178VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.6188)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077LYS-186ASN-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-19.2438)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-089PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.6649)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-093ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.0258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-097LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-116PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7920)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-160VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-162PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2614)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-201ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-6.5014)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-205GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-8.8306)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078ALA-126VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5929)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078ASP-157LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-103.9964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLN-085LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4295)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLN-088GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-20.7025)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLU-099THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.1859)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLU-127GLN-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-23.3965)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078HIE-081PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7312)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078LEU-108VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.1211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-082VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-096ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-104TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.6145)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-107ALA-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9971)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-108LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1560)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-179LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.1526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-215ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0995)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-218LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8793)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-218LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.1697)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PRO-115PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5837)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PRO-186ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.5203)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078SER-184PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.8386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078TYR-082PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.9679)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ARG-083ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-97.7985)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ARG-182ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-110.4106)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ASP-131HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-27.9193)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ASP-135ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.8427)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079PHE-089PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4790)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079PHE-100THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.9314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079PHE-104LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4590)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079SER-088ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8823)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079SER-208TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4361)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079THR-089LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0596)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079THR-089LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4036)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079THR-110THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.4352)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-084PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.5022)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-109VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8908)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-112LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7630)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-112LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1142)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-146PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.5720)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-153TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-167GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=1.5443)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079VAL-087LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3777)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079VAL-094ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4245)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ARG-088PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.8920)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ARG-090ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.3194)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ASP-087LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-111.9708)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080GLU-092ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.1714)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080GLU-155ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-119.1278)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ILE-112LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5798)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080PHE-085LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.1533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080PHE-098SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080PHE-166PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080THR-090ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.0710)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-088LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3697)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-090TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.2759)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-095ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.1141)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-108LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.5703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-136ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5396)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TYR-129TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.1384)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TYR-172GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=1.3811)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ALA-088ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8662)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASN-084LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8360)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASN-085SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3003)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASN-100TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-6.0115)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASP-092SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-18.7150)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLN-085ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-22.2490)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLU-101ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=5.6923)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLU-103GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLU-103GLN-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-13.8117)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081HIE-202PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.0893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ILE-085ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.7990)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081LYS-105VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.2818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-106CYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=12.7615)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-134GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6293)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-134GLU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-8.8942)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-138ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.0539)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081SER-087PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4805)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081TYR-085ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.1120)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081TYR-130VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081VAL-105TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8557)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081VAL-149HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3866)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ARG-088PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.0548)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ARG-088PHE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.5159)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-121LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-135ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9588)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-136PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6091)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-186VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9857)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082LEU-176PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8775)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082PHE-091ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.8687)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082PHE-102TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.9820)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082PHE-104VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0068)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-108LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4826)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-126SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5977)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-127PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.9553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-130VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ASP-089HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-23.7136)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ASP-105TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=3.9131)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ASP-136ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-93.8482)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083GLU-094TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-7.3692)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083HIE-086GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-25.7967)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083HIE-089ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-25.5982)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ILE-155ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7692)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ILE-173LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5435)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-087LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3147)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-088TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6691)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-101GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-108VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5544)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083THR-086MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.7083)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083THR-087GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083TYR-087PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.1762)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083TYR-094TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4146)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083TYR-096ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-087LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8408)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-094PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-094PHE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8234)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-103TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6388)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-140TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0653)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-153PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2947)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ARG-089ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-87.4564)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASN-099LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASN-103TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-8.4876)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASP-087PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.6129)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASP-107ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-13.9747)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASP-126VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.4722)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084CYS-090LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-11.2280)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084LEU-090LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6874)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084PRO-122PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084PRO-135PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5519)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084THR-107PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.9437)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084THR-108TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8483)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084TYR-089ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.6536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084TYR-095LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3882)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085ASN-099TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5172)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085HIE-094TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.7678)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085HIE-101TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.0807)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085ILE-089ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085ILE-103LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3952)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-094PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2203)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-108LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-137ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1759)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-138LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8288)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LYS-088GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-111.1935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LYS-094TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.2863)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085MET-136PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1505)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085PRO-090LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1130)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085TRP-089ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.1061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085TRP-135LYS-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-7.4317)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ALA-101GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7993)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ALA-104TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0091)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ALA-136PHE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.2648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-091ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-6.1663)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-092TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-6.6000)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-112TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-11.0128)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-115ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-111.7453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086HIE-089GLU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=14.8598)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086PRO-090ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5799)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086SER-136TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.4549)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086VAL-105LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7179)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086VAL-116VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6906)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087ALA-171PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.1471)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087ALA-173TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087ASN-091LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=3.5119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087CYS-119ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=6.3292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087CYS-121LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087GLN-139ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-6.3852)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-095PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5023)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-095PHE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2299)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-096TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-109VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5296)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-153PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087PHE-126VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7975)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087PHE-186VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5626)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087PHE-188VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0759)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087VAL-102LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.0871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088ASN-092ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2891)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088ILE-135LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088ILE-135PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088LEU-108ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088PHE-092LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0280)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ARG-106ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-92.2983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ARG-108TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-12.3374)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ARG-131VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.2914)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ASP-092PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.2951)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ASP-112ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-13.8843)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ASP-131VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.5475)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089CYS-105LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089GLN-117PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.0219)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089GLN-125TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5706)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ILE-112TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7266)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089LEU-127VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0761)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089THR-098LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6290)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089THR-098LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6816)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089TYR-094TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6687)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089TYR-153VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6644)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ALA-121PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ARG-187SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-7.9762)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090GLU-119ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-101.3570)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ILE-099LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7651)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ILE-107SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1369)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ILE-190VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4282)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090LYS-122ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.6723)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090LYS-122ASP-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.7159)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090PRO-129TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6745)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090PRO-154VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6362)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-095ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-8.4749)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-095ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3720)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-099ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-105LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-112GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=6.2696)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-113ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.3994)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091ASN-096TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-7.2411)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-098SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.6378)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-118THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-118THR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.6841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-121LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.0716)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-122ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=11.6192)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-125HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1239)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-127VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9406)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091LYS-140SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091LYS-140SER-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-17.0803)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091THR-094HIE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-6.7566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091VAL-094ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2804)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092ALA-164GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7552)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092LEU-095HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PHE-099TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.5666)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PHE-120VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9666)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PHE-131VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0002)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PRO-102HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5618)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PRO-133LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0661)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092TRP-100GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=22.4935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092VAL-117PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1382)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ALA-099THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7939)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ALA-164ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.4261)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ASN-096LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6402)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ASP-097THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-21.7916)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093HIE-118GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.9285)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093HIE-120ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093PRO-184PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6226)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094HIE-099THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4857)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094HIE-104PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.9583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094ILE-114TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0395)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094LEU-132VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9071)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094LEU-182MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8901)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094LYS-112ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-121.7645)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094PHE-098ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.0015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094PHE-141ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7801)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094PRO-135MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094TYR-097THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094TYR-151VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9096)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094TYR-153VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8047)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094VAL-125TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9595)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094VAL-152LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094VAL-166PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ASN-164ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-22.9862)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ASP-102TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=5.0215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095GLN-098TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.9780)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095GLN-185THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9822)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095GLN-187ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-6.0864)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ILE-120TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ILE-120TRP-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9744)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ILE-144THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6054)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LEU-103ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LEU-130VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7054)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LEU-133LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7777)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LYS-107ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9673)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LYS-109THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-14.9528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LYS-127ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-6.1596)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-099LYS-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.5861)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-118ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8290)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-154ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3169)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-160VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9690)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-160VAL-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5188)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095SER-114THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1933)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095THR-182ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=1.7875)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095TRP-099LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5249)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095TRP-104VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8774)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095TYR-106TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.5250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ASP-100ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-21.4360)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ASP-101GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-22.4524)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096GLU-121LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.1252)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-101GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.3750)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-103SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.9475)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-126LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7968)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-127ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=12.3678)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-132VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4156)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ILE-127VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ILE-127VAL-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2300)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096TRP-110LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096VAL-105LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.0318)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096VAL-108THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8295)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ALA-105LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6189)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ALA-117HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9849)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ASN-102TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.9661)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097GLU-101ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-103.1300)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ILE-105THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097LEU-111PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2000)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097LEU-113ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=1.2939)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097LEU-128PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3376)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PHE-103ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.3279)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PHE-181TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.7915)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PHE-183ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0341)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PRO-106ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6499)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TRP-145LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5489)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TRP-173TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.9984)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TRP-213ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1185)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TYR-101TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.8719)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TYR-179LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.6393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TYR-179LYS-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.7582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097VAL-112TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8227)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098ILE-145ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6287)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-101VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9908)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-115SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0291)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-117ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5710)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-136PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9438)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-144VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5341)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-144VAL-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6179)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-146TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1539)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098PRO-101GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4490)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098PRO-102ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.1156)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098PRO-114PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8843)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-112PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.2473)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-127VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.0267)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-138TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=2.7948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-164ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-17.5287)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-101GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1781)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-105TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7659)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-152ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8092)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-286TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8589)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-287LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4089)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-102HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.2100)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-147VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.9261)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-149ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-177ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-103.9936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-216GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-87.4390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099GLN-108GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.8424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099GLN-148HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.1783)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ILE-103ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4221)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099LYS-104THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8914)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099MET-107ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9058)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099MET-126VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.0679)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099PRO-104TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8845)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099PRO-164PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099PRO-166GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.9316)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099TRP-118PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099TRP-272GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-24.7067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ALA-112PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ASN-113LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9248)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ILE-103HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8550)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ILE-104LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.9413)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100LEU-130VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7108)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100LEU-134ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100LEU-142LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5161)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100SER-119GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-20.5021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100SER-131VAL-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0846)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100SER-148ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=2.3043)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100THR-104LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6285)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100TRP-103LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-11.7330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100TRP-103LYS-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100VAL-283ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6405)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ALA-104ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ALA-128ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ALA-138TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5516)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ARG-142LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.0325)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ASN-125HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.0995)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ASP-145THR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-18.7780)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ILE-110LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0212)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ILE-110PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6442)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ILE-123ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7377)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101LEU-111TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4120)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101LEU-125TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8411)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101LEU-132ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TRP-132VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0130)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TRP-135LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.7753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TRP-177ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9572)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TYR-151VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4952)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101VAL-106LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9577)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101VAL-132PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4659)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101VAL-132PHE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3996)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ALA-114PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2628)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ASP-106SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.4753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-109TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.7432)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-127GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8514)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-269HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.9529)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-270TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.0817)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-272GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.4906)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-110ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5436)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-145ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5747)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-149TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2461)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-149TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.2235)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-153PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8154)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102SER-165LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-8.2230)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102SER-169ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-17.9763)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102VAL-133PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9858)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ASP-149TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-22.3510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ASP-269HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-11.1174)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLN-108PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.7243)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLU-106LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-112.5908)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLU-108TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-20.8439)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLU-177ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=82.0630)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103HIE-168TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-11.5320)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ILE-110VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5881)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ILE-130VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6203)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ILE-132PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8213)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103PHE-122MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5632)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103PHE-127LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104ALA-125TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4339)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104MET-112ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9778)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104MET-133PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-107ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7432)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-129ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.3933)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-147LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5170)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-166GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-22.3271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-168LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6720)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-169PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3227)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-202PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.1287)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-205GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1611)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104VAL-108ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104VAL-112SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5821)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104VAL-126ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7642)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ALA-115GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5778)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ASN-139VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ASN-146GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.9856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ASN-154ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=4.7368)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ILE-128LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2900)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ILE-131ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5767)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ILE-135LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6707)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105LEU-114TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.0574)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105LEU-168ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0612)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105LEU-175PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6873)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PHE-127LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0144)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PHE-130ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.0290)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PHE-130ARG-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6810)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PRO-128ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.1235)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PRO-181TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-8.3864)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105TYR-149HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.5474)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106ASN-130HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=1.5094)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106ASP-133GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=5.0244)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106GLU-129LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-112.9528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106ILE-168ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4045)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106LEU-126LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3730)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106LEU-149PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6635)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106LEU-149PHE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.1346)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106PHE-109PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.3083)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106PHE-178LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.5802)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106SER-128PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.2736)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106TYR-112SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1095)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106VAL-112LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6958)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107ASP-125ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-24.0369)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107ILE-153TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9368)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107ILE-158MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1798)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107THR-125ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6777)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107THR-129LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-18.3632)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107VAL-147PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0159)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107VAL-147PHE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9339)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108ILE-122VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6697)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108ILE-146GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5379)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108LYS-131ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4437)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108LYS-160LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2996)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108PHE-125TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8962)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108PHE-127PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7470)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108PHE-150VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108TRP-151ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8355)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108TRP-155VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7929)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109ARG-115GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-113.0020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109GLN-161GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5078)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109GLN-161GLU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-13.0609)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-113ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.1745)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-181ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9780)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-182VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3894)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-185VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-228TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.7679)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109SER-137ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=1.5975)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109THR-131VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1816)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109THR-158MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8981)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109VAL-164ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ALA-161PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8632)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ALA-164ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6155)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110GLU-129LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-114.2539)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-116PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1524)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-149ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1969)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-151VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0761)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-162VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110LEU-125VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4289)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110LEU-127ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4127)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-123ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3355)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-128PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-222TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.5187)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-226LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1770)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-226LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110THR-127GLN-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.8784)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110THR-129TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.8261)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111ASP-156SER-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=8.7477)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111ASP-193HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-9.9302)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111HIE-218LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.4988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-116ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9502)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-130TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3520)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-158LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4978)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-169LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111TRP-115GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.4258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111VAL-125ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5351)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ALA-128PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9082)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ALA-131VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9288)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ARG-115ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8491)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ARG-125PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.1613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ARG-127GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6343)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ASP-183GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=84.5757)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ILE-125VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2676)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ILE-142ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0524)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112LEU-142PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2814)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112LYS-127LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9547)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112PHE-121LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5692)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112PHE-125HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4029)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TRP-119ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TRP-119ARG-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.0535)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TRP-120VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TYR-125GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.2908)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TYR-128LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TYR-190ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-8.4908)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-118ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.0859)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-120VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7115)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-122VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-225TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0800)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ASP-195GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-14.5506)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-131VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5341)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-164HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-185VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2006)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-190ARG-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.9712)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-232ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0834)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113LYS-117GLU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.6763)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113LYS-170VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113LYS-173GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-123.4277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113SER-120ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5060)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-119PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.0210)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-124HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.1755)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-126ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-171ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-22.7173)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-178ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.2374)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TYR-124THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113VAL-120HIE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.0404)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113VAL-143PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9368)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114ALA-160ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5667)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114ASN-122ARG-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114ASP-179LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.7351)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114GLU-144ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-7.8976)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114GLU-146ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-120.2114)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114LEU-118ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5481)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114LYS-225TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.0898)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114VAL-167GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.0183)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115ASN-124LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1481)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115ASP-156ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=84.0368)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLN-118ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.7069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-123PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1242)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-123PRO-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.0429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-160GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=62.7211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-163TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.2278)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115MET-168TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115PRO-129TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.6356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115THR-138VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115THR-142GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-19.7342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115THR-142GLU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-17.7733)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115VAL-122MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115VAL-123PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115VAL-130ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.5055)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116ALA-162PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3169)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116LYS-144SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-8.9459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116PHE-130VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116PHE-165VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0180)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117HIE-123PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4476)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117ILE-142PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1926)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PHE-125TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.1709)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PHE-130HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5060)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PRO-126ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8946)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PRO-129TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.8822)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PRO-130LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6093)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117VAL-166ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7593)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ALA-160VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2897)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ARG-157ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=9.1830)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ARG-185ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=62.4458)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ASP-136HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-26.4721)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118GLN-121PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4124)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118GLU-173PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.7115)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118GLU-176THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7657)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-136VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-165ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4143)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-166TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-178TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0147)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118THR-121LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0693)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118VAL-162PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119ALA-160LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5811)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119CYS-168HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.6667)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119LEU-137ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.0811)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119LEU-137ALA-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4579)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119LYS-186VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7036)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119MET-144SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119PHE-124HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.8231)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119PHE-176THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0937)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119SER-123ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.7869)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119SER-140TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6372)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119THR-123THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9795)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119THR-123THR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4062)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119TYR-174ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9493)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120HIE-185ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120ILE-123TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5596)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-123ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5606)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-124ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.9430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-124LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-135ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7740)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-171TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4316)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-171TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LYS-138VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9062)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LYS-142ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-98.7362)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120PRO-126ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5846)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120SER-136HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3867)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120THR-143VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3606)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120THR-147GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-20.0023)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120TYR-141PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3707)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120VAL-123ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8085)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120VAL-154ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120VAL-275LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121ASN-132THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1425)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121GLN-144ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-22.1793)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121LEU-125HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121LEU-125HIE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8031)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121PHE-126VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121PHE-191LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8092)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121PHE-219TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.9847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121TYR-125LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.0962)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121VAL-157ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9713)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122ASP-125LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.9095)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122LEU-188VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5397)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122MET-126GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-8.0636)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122VAL-125ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122VAL-143VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7052)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122VAL-152PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123ALA-128VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5300)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123ALA-158ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=1.5601)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123ARG-127GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.9255)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123MET-140ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8706)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123SER-182ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123THR-136SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.3581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123TYR-154VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0046)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123VAL-134LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ALA-156THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4862)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ASP-131THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=4.3619)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ASP-132THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-20.0949)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ASP-134ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-112.2776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124GLN-200ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8835)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124HIE-140GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-25.2917)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124HIE-143VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5471)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124LEU-136HIE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4332)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124LEU-181VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4299)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125GLU-192PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.3357)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125ILE-136TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8396)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125LEU-129LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3044)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125PHE-143VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TRP-138SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.2543)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TRP-150VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TRP-152LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.0154)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TYR-164HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.1976)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ALA-140GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9126)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ASN-129ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.9983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126GLU-130ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-104.5374)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ILE-136PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ILE-139PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ILE-139PHE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.7235)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126LEU-130HIE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1367)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126LEU-162PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126LYS-158ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126PHE-132HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5882)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126PHE-171TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.6627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126PHE-176TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.9221)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126SER-171ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6704)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126THR-197TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3374)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127ALA-177ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.4190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127GLU-146ARG-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-97.1076)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127GLU-269HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2091)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127GLU-269HIE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=13.2359)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127LEU-210VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4623)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127MET-131LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4592)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-132ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4039)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-133SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-138SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5692)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-140HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.7393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-158VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9605)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-183TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.3923)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-206ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1327)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-237ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-239PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.1719)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128ILE-131LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5954)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128LYS-183TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.5826)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128PHE-235LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7302)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128PHE-252LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6479)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128PRO-275LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0759)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128TYR-158MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.1023)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128TYR-160LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2214)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128VAL-160LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129ASN-132TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.7452)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129ASP-140HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-25.3155)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129ASP-148TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.0322)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-155PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9704)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-192PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5139)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-195PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3028)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-277TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.9232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-277TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1866)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129PHE-133VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9365)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129PHE-156ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-7.2940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129PHE-166PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.1271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129TYR-133ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-8.4241)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129TYR-136TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.5260)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129VAL-159PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2331)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129VAL-184PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8275)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130ARG-170TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.3184)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130ARG-244ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.0374)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130ARG-248GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-76.3038)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130GLN-134GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-16.8697)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130GLN-137ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.2086)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130PRO-135ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130PRO-139ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6274)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130PRO-180PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130SER-149HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-8.7290)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130SER-153TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.7884)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130VAL-139ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.1294)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130VAL-162VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130VAL-185PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0384)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ALA-140HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8028)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ARG-134GLU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-79.4015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ASP-147PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5385)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ASP-182PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.5139)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131LEU-136VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.0493)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131LEU-160MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7989)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131PRO-219VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131PRO-220GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.0936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131THR-149LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5741)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ARG-136ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.6807)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ASP-156ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-102.6392)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132HIE-135LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1073)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132HIE-147ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-26.2261)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132HIE-149ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ILE-135PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ILE-138TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.1012)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ILE-146TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9693)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132LEU-198PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9892)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-162VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5412)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-174SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8685)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-176VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3520)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-183GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.9401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132TYR-136PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8857)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133LYS-136ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-102.6896)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133LYS-198PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4561)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133PRO-151ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.0799)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133SER-161GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-17.9279)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133TRP-143MET-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.5316)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133TRP-148VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.5293)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133TRP-277TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=1.0470)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133VAL-137ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.7804)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133VAL-146TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.0938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134GLU-138ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-104.2654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134ILE-147ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.9826)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134ILE-167LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4284)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134LEU-205TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135ARG-193VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.0430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135ILE-180PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LEU-139LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1628)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LEU-163LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2707)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LEU-179LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3549)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LYS-157GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-105.0297)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LYS-177ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9414)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PHE-147TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.1426)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PRO-140SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8473)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PRO-144LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9440)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PRO-155PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6710)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135TRP-147GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-6.2451)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135TRP-208ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1778)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136ARG-142ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.2334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136ASP-198PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-7.0870)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136ASP-201VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.3557)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136CYS-143PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.2946)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136PHE-141ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8208)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136PHE-146TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.3347)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136SER-144ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-14.6342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136TRP-155CYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4389)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136TRP-165ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-23.1208)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136TRP-179MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4991)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136VAL-169LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6561)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137ARG-154TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.7586)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137ARG-154TRP-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-6.7223)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137ARG-157GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-100.8779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137GLU-143MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.3262)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137SER-156ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9312)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137TYR-166SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138ARG-142GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-92.4436)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138ILE-156ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8866)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138LEU-149PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2415)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138PHE-153PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.9240)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138SER-169VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138TRP-146PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.4040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138TRP-243LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138VAL-144ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6793)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139ASN-154SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.0857)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139GLU-144LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-115.9394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139ILE-143TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2960)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139LEU-204TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3782)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139PRO-180PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3801)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139TYR-148SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140GLU-143VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.8473)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140GLU-155THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-16.8911)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140GLU-156ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-118.9194)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140LEU-168LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.1982)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141GLN-160PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141LYS-144GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-110.7849)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141MET-155ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141PHE-152PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.3320)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141SER-144ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-13.9513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141SER-154ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3946)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142GLN-154GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.4052)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142ILE-155LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4939)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142ILE-155LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7086)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142ILE-185VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9666)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142PHE-170ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9103)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-147LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-9.3184)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-148TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.8713)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-150VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.1337)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-160PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.2070)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-170ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.1303)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-199THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2895)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-203VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143ARG-187ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-115.7994)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143ARG-188LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=62.3938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143GLN-147GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-23.2690)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143ILE-146VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5164)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143LEU-160ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.5885)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143TRP-146LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.0100)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143TYR-150ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.9675)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143VAL-147LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6579)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143VAL-152PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144ARG-147GLU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-92.2839)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144ASP-150SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-15.3389)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144ILE-155THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9310)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144LYS-161GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-121.7803)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144PHE-153LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.1557)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144PHE-155ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7594)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='145GLN-149MET-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=3.6180)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='145LEU-149PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9802)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='145THR-149PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7478)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146ARG-207GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-118.4912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146GLU-158SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=9.6108)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-149PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.0278)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-150LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7060)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-150VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5580)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-164TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4923)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-165PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1836)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-199LYS-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.9384)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146VAL-161VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6357)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146VAL-161VAL-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5281)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146VAL-165HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5018)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147ASP-171TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-25.5267)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147ASP-188LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-110.7313)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147LYS-203VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147PHE-159PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.9605)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147PHE-182PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.0103)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147VAL-175SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8606)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148ALA-158LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5943)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148HIE-152GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.2633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148ILE-202VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6188)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148ILE-204ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.3799)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148PHE-164HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.8244)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148PHE-165TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.4159)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148SER-163ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8550)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148TYR-170ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2904)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-167THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0590)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-171TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.9997)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-175SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.0535)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-177ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-6.3472)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149LEU-152GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5278)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-159ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.0011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-164PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2186)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-165PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.9612)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-169VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6649)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PRO-152GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.1070)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PRO-152PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9559)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149THR-157PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9728)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149TYR-153PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.9483)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150ARG-157ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-112.8333)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150ARG-208ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.2109)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-153PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8955)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-154TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5822)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-159PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2262)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-167LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-170HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0320)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-202LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9150)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-203GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.4308)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LYS-158LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5695)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='151ILE-159VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.0250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='151SER-159PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.2945)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='151THR-163THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=5.2410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152ASP-156LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.1566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152ASP-158LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2994)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152CYS-197VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.4455)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152LYS-156ASP-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-114.8341)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152LYS-277TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.6733)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153ASP-156ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-67.2640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153ASP-200ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-105.9544)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153LYS-203GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-115.0617)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153PHE-163LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2168)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153TRP-158MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.8212)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ARG-204ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=61.7502)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ARG-208TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-10.7543)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ILE-159GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ILE-160VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5717)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154LEU-191TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2177)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154LYS-159ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6103)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154TYR-203GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=5.0695)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154TYR-207ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.5658)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PHE-197TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6851)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PHE-277TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.2103)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PHE-284LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9337)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PRO-170TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3325)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-171ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-94.6794)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-172THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-14.6674)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-197GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-113.8938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-200TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.6856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-200TRP-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-12.5560)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156SER-191TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157ASP-202VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.2920)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157ASP-204ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-118.0503)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157ILE-160CYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4302)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157MET-181ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3442)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157MET-192ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0974)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157PRO-161VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0064)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157VAL-167PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2723)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158ALA-193HIE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9412)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158ALA-284LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4431)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158ILE-164LYS-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8956)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158LEU-172THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2642)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158VAL-169VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.0356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158VAL-205TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2318)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ALA-197TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4997)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159GLU-170LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.4065)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-172TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7062)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-199LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8395)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-200TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5758)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-203PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4727)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PHE-206ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7715)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PRO-164VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PRO-178TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.7496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PRO-192ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0705)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159VAL-180LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160LEU-164TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6109)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160MET-169LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1657)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160PHE-169VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7780)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160PHE-203VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161ARG-285ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-86.2654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161ARG-288ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.1810)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161ARG-292GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-119.4225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161THR-194VAL-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2348)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161TYR-201ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.3531)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161TYR-204ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161VAL-170LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7123)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162ALA-174ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162ALA-175TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.4818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-198PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0924)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-201LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4280)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-203VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-208ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.0420)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-284LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4041)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162PHE-168LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.0947)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162PHE-207ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3048)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162VAL-167CYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9672)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162VAL-167TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4521)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162VAL-167TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2448)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ARG-201LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.2145)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ASN-166ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7064)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ASN-196ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.7059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ILE-166CYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7820)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163LEU-171ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5867)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163LEU-175LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.1951)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-174ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.1257)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-178TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.8251)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-180LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9910)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-180LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2649)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-183LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-6.4206)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-184VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1878)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-187GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=4.3167)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='164VAL-171ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9129)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='164VAL-225LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6221)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165ALA-292GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.3340)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165GLN-224MET-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.0203)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165LYS-169ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-111.9347)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165PHE-169VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5751)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-168ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=3.3697)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-171VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-208ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8564)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-208ILE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6125)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165VAL-177ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='166ILE-187ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4958)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='166PRO-171VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='166PRO-172VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='167GLU-187ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-116.7376)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='167PHE-170TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.8345)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='167PRO-170VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1192)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168HIE-180GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-24.8332)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168ILE-178VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5242)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168LEU-172ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.4529)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168LEU-211ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168TYR-203ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2298)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168TYR-224MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5362)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169ASP-172SER-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-18.5556)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169LEU-181TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169LYS-172ILE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.8395)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169LYS-291ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5318)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169MET-184VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.1628)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170ALA-175TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2169)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170HIE-174LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2435)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170LEU-178LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0202)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170LEU-186TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4193)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170THR-180GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6587)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171ASP-176THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-17.3629)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171THR-180SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.2369)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171TYR-180PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=2.1617)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171TYR-231VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2231)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='172ASP-204TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-25.7268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='172ILE-235VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6066)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='172TYR-193VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9147)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173ARG-234ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-116.0732)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173ARG-296LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=58.5669)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173CYS-269HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173CYS-270TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1531)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173LEU-190VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5714)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173PHE-176THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173TYR-211PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173TYR-213ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.9801)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173TYR-245ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3000)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174ASN-178LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-24.4457)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174MET-177ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174THR-205LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4054)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-203VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8458)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-205PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6861)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-270TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4576)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-273GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-273GLU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8909)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='175LEU-233ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4028)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='175VAL-268LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9867)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='175VAL-274ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-6.7909)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ALA-195LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ARG-182GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-114.2185)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ARG-273GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-76.0715)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ILE-198PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3426)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ILE-201ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5026)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ILE-205LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-204TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7705)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-208ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6960)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-208ALA-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5532)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-214PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176THR-180LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7892)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='177ASP-216GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=70.4490)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='177GLN-190VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0578)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='178SER-239ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-18.8711)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179ALA-225TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9261)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179ALA-238MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7695)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179ALA-250ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7879)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179LEU-239PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7723)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179TYR-216GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=4.4913)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179TYR-250PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.1292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179TYR-258TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.4373)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180ASN-219SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.8889)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180ASN-229TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.5644)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180GLU-187ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-100.8814)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180GLU-189ARG-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-104.9268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180GLU-194ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-114.9525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-184VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3373)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-209TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-11.5753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-214PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6620)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-224ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8814)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181ILE-228TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181THR-195SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.2409)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181TRP-185GLN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.0843)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181TRP-189SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9127)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181TRP-258TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.9456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ASP-186ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-10.9761)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ILE-192ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8192)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ILE-239PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0694)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ILE-242LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5595)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182PRO-186LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4559)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182PRO-186LEU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1096)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182PRO-189ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.9304)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-190LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-194ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8441)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-205LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.1334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-209TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=2.2725)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183TYR-186LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-15.0798)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184ASP-187ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-87.5335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-205THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8970)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-209LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3946)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-225TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.4266)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-228VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3554)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-238MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.9296)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-255TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7117)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184THR-220ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4639)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184VAL-225GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5692)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185PHE-190LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.0868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185TYR-220PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185VAL-224ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.1862)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185VAL-228TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4219)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186CYS-192PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0078)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186GLU-189LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-108.5060)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186LYS-191VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6692)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186LYS-191VAL-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4794)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186TYR-273GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=5.0374)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186VAL-208PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2505)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186VAL-223LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5678)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='187LYS-193THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5685)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='187LYS-193THR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='188LYS-225GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.1759)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189THR-199LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.2703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189THR-205PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189THR-207GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-16.2569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189TYR-232ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5788)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='190ARG-235LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.0112)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='190LYS-193GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-108.4445)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='190PHE-199LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3888)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='191LEU-219TRP-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.4509)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='191TRP-229TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2306)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='192GLN-197VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='192ILE-242LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='192SER-269ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-9.7595)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='193HIE-248MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9417)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='193HIE-301MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.0603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194ASP-269ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-119.1663)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194ILE-205LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5933)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-198PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.9321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-201LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.9489)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-217PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-233ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8117)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-237ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6143)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-241TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.7320)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195ASP-241TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=6.2343)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195LEU-205PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195LEU-237ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3874)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195LEU-269ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.4413)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195PRO-198PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.8774)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-218GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=10.7766)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-221MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-249ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6710)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-249ILE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='197TYR-201LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8078)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='197TYR-252PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.0473)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='197TYR-284LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7770)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198ASN-201LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7140)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-205PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-217PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0488)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-284LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0806)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-287LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='199LYS-207GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-108.4363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='200TRP-204ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.1344)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='201LEU-284LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6079)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='201SER-209ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.2391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='202TYR-212ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6903)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='202TYR-241TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.2224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='203VAL-291ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6924)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205LEU-212ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8240)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205MET-223ASP-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-5.6726)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205MET-224MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7828)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205THR-209LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7134)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='206ASP-210TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-27.8040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='206VAL-231TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3992)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='207PRO-216VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4806)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='208ALA-214PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2233)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='209TYR-214PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='210GLU-213LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-109.3091)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='210TYR-216ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.7702)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='210TYR-286TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.3257)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='211ASP-214LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-114.3090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='211PRO-245ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='212ALA-221GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.4191)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='212ILE-243LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8168)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='212PRO-215ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0290)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='214ILE-217PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6534)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='215ALA-282PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='217PHE-234TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.1276)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='217PHE-247ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0384)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='217PHE-249TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.6983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='218ALA-249TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.6337)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='218ALA-258TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5924)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219SER-229TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.5425)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-222TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4879)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-222TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-272ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9195)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-286TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2162)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-288LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.1539)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='220ALA-256THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7175)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='220ALA-286TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.2444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-226LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-4.1639)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-230LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-111.2280)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-231TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=7.5688)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-262SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-18.3057)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-263SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-18.6415)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-265GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=80.8891)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='222ALA-249ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6441)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223ASP-286TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=4.9882)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223ASP-288LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.5514)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223ASP-289SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-19.7730)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223LEU-227ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=1.1743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='224MET-229PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.5052)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='224MET-229PHE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4505)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='225ASN-228ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6325)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='225TRP-228VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0327)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='225TRP-252GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.4398)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-233LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.2969)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-247VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0933)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-294TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.4179)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-294TYR-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5217)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LYS-262SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-17.9119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='227HIE-255SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.3988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='227HIE-256LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.2485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='227HIE-289SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.0923)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='228ARG-232GLU-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-91.7603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='228VAL-254THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='232PRO-290LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7165)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234ASN-237ASN-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5253)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-260LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8800)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-262VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-286TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.0838)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-286TRP-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.4160)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='235VAL-294ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6025)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236ILE-258LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.4358)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236ILE-260ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9384)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236PHE-262VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.9697)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236PHE-279ILE-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8617)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236PHE-282GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.1065)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237ILE-267ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5758)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237ILE-269ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5402)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237TRP-246PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.1088)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237TRP-249ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.6352)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237TRP-263ASP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8164)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='238MET-247PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0715)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='238MET-255TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.2931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='239ASP-244THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-3.6979)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='239ASP-271PRO-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-12.2105)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='240ASP-270SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-17.9602)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='240PRO-268LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7396)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='241ARG-272GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-92.1239)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='243LEU-269HIE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.3360)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='244SER-294TYR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3956)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='245ILE-250ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7288)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='245PRO-248GLU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.2946)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='248MET-298ARG-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-269MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.6474)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-276ILE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.3549)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-297PHE-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.5772)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-300LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7542)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='250ILE-255TRP-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8789)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='250ILE-255TRP-2', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-2.2554)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='251LEU-269MET-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.4174)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='252PRO-258ALA-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.5718)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='253ALA-261THR-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=0.8195)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='253ALA-302SER-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.9676)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='255TRP-261VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.8434)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='258LEU-261VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7531)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='261VAL-266VAL-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.2402)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='264ILE-271LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.7003)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='270SER-283LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-0.8258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='273PRO-283LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0747)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='274ILE-279LYS-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0004)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='275ASN-278LEU-1', method='MP2C', mode='dfhf_dfmp_SA', basis='atqzadz', value=-1.0529)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-005ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-61.5578)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-013ARG-1', method='MP2CF12', mode='SA', basis='adz', value=63.4763)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-015GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-80.3182)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ARG-159VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.9150)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ASN-026VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6905)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ASN-030MET-1', method='MP2CF12', mode='SA', basis='adz', value=0.9946)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001ASN-097GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-16.6036)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001HIE-099GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5339)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LEU-071LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7298)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LEU-154LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5923)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LEU-190THR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5261)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LYS-027ASN-2', method='MP2CF12', mode='SA', basis='adz', value=21.2367)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LYS-027THR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7751)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001LYS-027THR-2', method='MP2CF12', mode='SA', basis='adz', value=1.3050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-005GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3192)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-027VAL-2', method='MP2CF12', mode='SA', basis='adz', value=2.8230)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-031VAL-1', method='MP2CF12', mode='SA', basis='adz', value=2.3646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001MET-047GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-5.2950)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001PRO-046ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-4.0288)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='001SER-030GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-3.1994)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ALA-101ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7880)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ARG-006GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-90.4431)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ARG-020PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-2.1561)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ARG-046LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-2.1804)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ASN-022GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-21.1507)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ASN-026ASP-2', method='MP2CF12', mode='SA', basis='adz', value=-8.2341)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002ASP-145HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-6.7589)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-005GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-1.7466)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-006GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0389)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-153PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6674)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LEU-163LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5539)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-006GLU-2', method='MP2CF12', mode='SA', basis='adz', value=-0.9436)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-007ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7622)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-035GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-110.0574)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-075ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-22.5087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-080ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002LYS-082TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-8.5113)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002MET-031TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002MET-050ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9750)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002TRP-012VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7896)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002TRP-138SER-2', method='MP2CF12', mode='SA', basis='adz', value=-6.0796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002TRP-139LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6945)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-009TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6134)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-042PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9563)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-042PHE-2', method='MP2CF12', mode='SA', basis='adz', value=-0.6274)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-043HIE-2', method='MP2CF12', mode='SA', basis='adz', value=-2.2035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='002VAL-046SER-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4049)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ALA-007THR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9833)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003GLU-006GLN-2', method='MP2CF12', mode='SA', basis='adz', value=4.3878)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ILE-062ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.2079)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ILE-065SER-1', method='MP2CF12', mode='SA', basis='adz', value=0.2156)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003ILE-067TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4792)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003LEU-033LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6844)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003LEU-054LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003LYS-055LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4371)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003PRO-025ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1875)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003SER-096ASN-2', method='MP2CF12', mode='SA', basis='adz', value=0.0978)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003THR-181VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0758)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003THR-182GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-3.4801)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TRP-163PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-4.0893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TRP-167GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6720)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TRP-167GLN-2', method='MP2CF12', mode='SA', basis='adz', value=-2.4600)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-028VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3019)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-028VAL-2', method='MP2CF12', mode='SA', basis='adz', value=-1.6330)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-030GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-2.5271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-054VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-056ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6695)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-073CYS-2', method='MP2CF12', mode='SA', basis='adz', value=-3.0105)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-074SER-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6670)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003TYR-096HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-3.9190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-009TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3077)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-012GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-2.6525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-036PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3032)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-064TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-081THR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4802)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-083PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-118ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6967)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='003VAL-121TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0970)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-024THR-1', method='MP2CF12', mode='SA', basis='adz', value=-15.4821)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-057ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-057ILE-2', method='MP2CF12', mode='SA', basis='adz', value=0.0249)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-095TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5155)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ARG-095TYR-2', method='MP2CF12', mode='SA', basis='adz', value=-5.9927)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ASN-009TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-4.7401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ASP-043THR-1', method='MP2CF12', mode='SA', basis='adz', value=-16.3962)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004ASP-194ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-102.4796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004GLN-007ASN-2', method='MP2CF12', mode='SA', basis='adz', value=-3.4435)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004GLN-056GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-7.1108)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004GLU-039THR-1', method='MP2CF12', mode='SA', basis='adz', value=-16.2814)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-010TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9381)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-031TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-032HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1105)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-040GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-2.7945)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-179LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7274)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-180LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.2121)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-180LEU-2', method='MP2CF12', mode='SA', basis='adz', value=-0.9371)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LEU-183LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5284)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LYS-030ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-4.2582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LYS-031ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004LYS-323PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3147)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-116VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0792)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-135LEU-2', method='MP2CF12', mode='SA', basis='adz', value=-1.9030)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-158LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7850)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PHE-160PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-1.7783)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-007LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0839)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-009TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-3.3821)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-026TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.5337)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-029PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.3467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-068VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6575)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-074ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0721)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-094LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1956)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004PRO-096TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.5193)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004SER-027VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6082)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004SER-030MET-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5676)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-078LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-132LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-12.9198)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-163LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4076)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004THR-164GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-15.7149)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TRP-014ARG-2', method='MP2CF12', mode='SA', basis='adz', value=-1.5271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TRP-016LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-2.4968)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TYR-075PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4222)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004TYR-105LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3792)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='004VAL-053LEU-1', method='MP2CF12', mode='SA', basis='adz', value=0.1087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ALA-019PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6585)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ARG-012GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-106.6280)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ARG-071GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-95.5789)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ARG-158LEU-2', method='MP2CF12', mode='SA', basis='adz', value=-2.0906)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ASP-103GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-12.4640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ASP-128ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-100.4874)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ILE-054SER-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2130)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ILE-234TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9708)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005ILE-277LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4243)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-010TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9689)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-011PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.3293)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-015LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-1.8912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-023GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-025ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4806)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-025LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5738)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-030ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-2.1724)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-030LEU-2', method='MP2CF12', mode='SA', basis='adz', value=-0.8931)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-032MET-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7585)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-037ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6492)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-068ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-077LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4981)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-083HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-106TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.9082)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005LEU-191TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0368)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-022VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7161)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-031TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3139)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-037PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6145)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-043TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.2797)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-049LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0022)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-050TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-2.8886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-155SER-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-162GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-2.1126)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PHE-163LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4824)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005PRO-196ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1529)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005SER-028VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6115)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005TYR-166TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-3.1645)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005TYR-168VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-008GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4337)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-023LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-035PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4273)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-037ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3870)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='005VAL-039SER-1', method='MP2CF12', mode='SA', basis='adz', value=-0.2237)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ALA-078GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ARG-090TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.8028)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ASP-010THR-1', method='MP2CF12', mode='SA', basis='adz', value=6.3167)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006ASP-116VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5448)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006GLU-010TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.7274)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-108PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.8263)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-126VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5626)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-319TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5642)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006LEU-323PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0557)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-018ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-6.6963)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-039THR-2', method='MP2CF12', mode='SA', basis='adz', value=-1.6935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-050VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7788)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-053LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-061PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-3.2004)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006PHE-163LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8369)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006THR-097VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006TRP-026TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4836)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006TRP-038VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9980)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006TRP-040LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-020VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7801)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-023MET-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6341)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-024ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-1.7489)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-026LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4754)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-038ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.2775)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-053LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6649)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-055GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-2.1568)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='006VAL-175PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.8314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ALA-011ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9695)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ALA-021PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9751)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ALA-049VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3275)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ARG-011GLU-2', method='MP2CF12', mode='SA', basis='adz', value=-102.6167)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ARG-062TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0128)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ARG-063PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-2.6390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASN-109GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-18.9570)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASP-011GLN-1', method='MP2CF12', mode='SA', basis='adz', value=7.2062)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASP-119SER-1', method='MP2CF12', mode='SA', basis='adz', value=-5.6723)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ASP-131ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-110.8173)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007GLU-033LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-4.6089)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007GLU-033LYS-2', method='MP2CF12', mode='SA', basis='adz', value=-99.7154)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-015LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-030LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-030LEU-2', method='MP2CF12', mode='SA', basis='adz', value=-0.5014)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-038TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.7122)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-042LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-0.1231)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007ILE-097VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6688)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-017ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-026VAL-1', method='MP2CF12', mode='SA', basis='adz', value=0.2003)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-033LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5567)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-090TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2993)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-096TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1191)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LEU-168HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.7038)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LYS-011ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-112.7067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LYS-093SER-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8105)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007LYS-099THR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6415)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-019VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7572)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-021PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.8450)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-021PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-1.7014)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-022VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3601)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-024VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.1612)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-035PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3516)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-084LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7840)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-091ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6437)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-111PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1470)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-157ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.8156)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007PHE-160CYS-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8661)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007SER-010ARG-2', method='MP2CF12', mode='SA', basis='adz', value=-8.4192)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007SER-100ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-4.6513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007THR-031LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-0.2427)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007TYR-053TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.0869)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-022SER-1', method='MP2CF12', mode='SA', basis='adz', value=-1.9684)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-026GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5022)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-034ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5784)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-038VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7071)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-040THR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4539)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-154GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6855)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-154GLN-2', method='MP2CF12', mode='SA', basis='adz', value=-1.1205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-191TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1607)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='007VAL-248MET-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7307)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ALA-034ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3514)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ALA-035GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-3.8057)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ALA-038MET-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ARG-115SER-1', method='MP2CF12', mode='SA', basis='adz', value=-15.0666)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASN-030LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-24.9022)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASP-018ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-4.6827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASP-018ARG-2', method='MP2CF12', mode='SA', basis='adz', value=-111.0598)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ASP-058ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4121)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-012HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7770)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-015TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1488)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-032MET-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6094)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-033PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1697)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-034LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.2539)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-035TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3592)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-041TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0540)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-058PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.3789)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008ILE-062TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LEU-017ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5950)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LEU-088TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3167)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-043THR-1', method='MP2CF12', mode='SA', basis='adz', value=-14.3482)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-065VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-068GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-4.0043)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008LYS-068GLU-2', method='MP2CF12', mode='SA', basis='adz', value=-105.9069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008MET-158LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3043)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-042LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8509)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-044ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1343)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-097VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.8277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-099HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.3848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PHE-101HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.8345)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008PRO-183ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-13.0516)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008SER-032SER-1', method='MP2CF12', mode='SA', basis='adz', value=-5.6062)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008SER-093TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3113)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TRP-035PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-3.4356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TRP-250PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-3.0983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TRP-252GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-20.3264)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008TYR-052TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.8353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-039TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-041VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-066LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.1943)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-072SER-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3130)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='008VAL-080PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2920)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ALA-084LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5483)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ALA-091ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.2105)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-023GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-95.7382)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-031TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-11.7857)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-092LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-2.3242)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-103GLN-1', method='MP2CF12', mode='SA', basis='adz', value=5.3342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-106ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-89.3072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-128ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-2.4374)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ARG-128ARG-2', method='MP2CF12', mode='SA', basis='adz', value=59.7582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ASN-024ARG-1', method='MP2CF12', mode='SA', basis='adz', value=9.2570)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ASP-021LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-3.5194)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009GLN-068ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9419)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009GLN-072ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-2.3727)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-013TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1117)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-038LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4325)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-052PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7360)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-092LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8475)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-092LEU-2', method='MP2CF12', mode='SA', basis='adz', value=-0.5680)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-105LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7371)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-108PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9961)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009ILE-155ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4745)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-013VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6950)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-033LEU-2', method='MP2CF12', mode='SA', basis='adz', value=-0.5095)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-039ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6419)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-041VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-041VAL-2', method='MP2CF12', mode='SA', basis='adz', value=-0.3981)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-055SER-2', method='MP2CF12', mode='SA', basis='adz', value=-0.7683)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LEU-058ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LYS-137LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-2.4849)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009LYS-171VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009PRO-069TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0549)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TRP-111ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-11.1370)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-016GLU-1', method='MP2CF12', mode='SA', basis='adz', value=4.3647)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-029THR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1008)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-033ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-4.6226)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-035SER-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3481)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-050PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-3.4376)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-053TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.6382)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-111ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-23.1509)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-121TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-3.7921)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-158ALA-1', method='MP2CF12', mode='SA', basis='adz', value=0.1438)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-301MET-1', method='MP2CF12', mode='SA', basis='adz', value=-1.8268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009TYR-303TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-2.6011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-021PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.9395)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-025ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4719)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-035ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6350)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-084ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4112)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='009VAL-086TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ARG-039ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-100.5304)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ARG-042ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-90.4936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ARG-092LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9916)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASN-014GLN-2', method='MP2CF12', mode='SA', basis='adz', value=-5.6967)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASN-023GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-23.1489)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASN-088TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-3.6965)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010ASP-090TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-25.3612)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLN-022MET-1', method='MP2CF12', mode='SA', basis='adz', value=-1.9468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLN-102TYR-1', method='MP2CF12', mode='SA', basis='adz', value=0.7912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLU-014LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-67.9316)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010GLU-032SER-1', method='MP2CF12', mode='SA', basis='adz', value=10.4248)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010HIE-015TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.1840)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010HIE-023ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9412)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010LEU-091ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9537)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010LEU-096TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8959)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010LEU-132ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8851)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010PHE-028ILE-2', method='MP2CF12', mode='SA', basis='adz', value=-1.6095)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-022LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-2.2926)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-025VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-032ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5048)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-032PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.8753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-034VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-052TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3591)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-058PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.8666)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-081VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-2.4992)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TRP-081VAL-2', method='MP2CF12', mode='SA', basis='adz', value=-2.5439)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-017GLU-1', method='MP2CF12', mode='SA', basis='adz', value=3.5824)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-049PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-2.4162)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-052TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-3.1350)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010TYR-163TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3834)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-027ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6451)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-028LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-034TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9048)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-040PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.8266)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='010VAL-044ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3570)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ALA-016GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ASP-091ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-18.0281)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011CYS-042VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6933)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011CYS-042VAL-2', method='MP2CF12', mode='SA', basis='adz', value=-0.7936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011GLU-062TYR-1', method='MP2CF12', mode='SA', basis='adz', value=3.0848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011GLU-100THR-1', method='MP2CF12', mode='SA', basis='adz', value=-8.7572)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011HIE-015ASN-1', method='MP2CF12', mode='SA', basis='adz', value=2.2978)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011HIE-304SER-1', method='MP2CF12', mode='SA', basis='adz', value=1.4758)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011HIE-306ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-2.8940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-017LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3740)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-018ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5683)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-024ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-024ILE-2', method='MP2CF12', mode='SA', basis='adz', value=-0.4978)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-028LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.2476)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-037LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.1068)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-038TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0898)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-042LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5995)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011ILE-045VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5253)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-062HIE-2', method='MP2CF12', mode='SA', basis='adz', value=-0.8856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-069TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-071GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1288)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-102TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.7411)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011LEU-102TYR-2', method='MP2CF12', mode='SA', basis='adz', value=-1.7353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011PHE-044TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1318)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011PRO-020ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3872)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011SER-223GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-18.6167)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011THR-017ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4695)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011THR-166GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-3.3183)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011THR-166GLU-2', method='MP2CF12', mode='SA', basis='adz', value=-16.6028)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-018ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-7.9772)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-023ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-7.8919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-051GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-10.4979)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-102GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-3.7629)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011TYR-169ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3474)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-144PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1473)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-153LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4873)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-153LYS-2', method='MP2CF12', mode='SA', basis='adz', value=-0.6848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='011VAL-155ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.1934)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-055PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6816)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-059PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9642)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-108PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ALA-139ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5989)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASN-048PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3855)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASP-024LYS-2', method='MP2CF12', mode='SA', basis='adz', value=-77.2225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASP-026TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-7.4343)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ASP-069TYR-1', method='MP2CF12', mode='SA', basis='adz', value=3.6394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLN-034GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-6.8437)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLN-044TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3060)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLN-048TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.7372)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-017GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-019THR-1', method='MP2CF12', mode='SA', basis='adz', value=-17.2100)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-068HIE-1', method='MP2CF12', mode='SA', basis='adz', value=12.5955)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012GLU-070TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-5.2916)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012HIE-015ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012HIE-033LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8492)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-016THR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-018LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4744)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-028LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.2423)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-044ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-046LYS-2', method='MP2CF12', mode='SA', basis='adz', value=-0.0211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012ILE-046VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4414)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-024VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-027PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-033LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.2598)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-035TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3169)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-039ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7677)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-047ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4346)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-057LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-062HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.7795)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-064LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8115)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-065LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7324)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-070MET-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-074VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.1630)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-083ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1288)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-085ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012LEU-088TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-026PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.9541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-040PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5361)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-116PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4484)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-163ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.7793)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012PHE-166CYS-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1574)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012SER-138SER-1', method='MP2CF12', mode='SA', basis='adz', value=-2.7566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012SER-166PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6838)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012TYR-087PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-4.3475)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-016LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3728)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-023LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-088PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0756)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-114PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='012VAL-146PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ALA-096TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-2.4440)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ASN-149ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-7.4412)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ASP-016GLU-1', method='MP2CF12', mode='SA', basis='adz', value=63.1263)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ASP-023ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-117.6892)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-039ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-91.4361)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-052ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6956)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-056GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-22.1486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-065LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-3.4015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013GLU-069ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-115.5682)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013HIE-032ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4752)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013HIE-095HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.6038)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013HIE-121TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-11.2026)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ILE-017LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013ILE-105ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4695)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-017ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-0.2341)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-063ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5382)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-065PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.9625)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-066ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5283)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-069LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6926)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-077LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.2777)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-082VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5799)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013LEU-084ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5563)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-036VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8168)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-060TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.2632)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-062LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-063PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-1.7118)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-083ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0128)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PHE-085ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7924)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PRO-032VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.1266)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PRO-034GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5507)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013PRO-129THR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0239)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013SER-047TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3866)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013THR-164GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-2.9549)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013TYR-075LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.8604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013TYR-075LEU-2', method='MP2CF12', mode='SA', basis='adz', value=-1.5254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-016PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7085)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-066LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7982)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-154ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2161)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='013VAL-154ASN-2', method='MP2CF12', mode='SA', basis='adz', value=-1.1300)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ALA-055LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5305)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ARG-083THR-1', method='MP2CF12', mode='SA', basis='adz', value=2.5403)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASN-027ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1054)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASN-061LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-24.5723)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASN-137TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-4.4850)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ASP-017ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-80.7971)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLN-093VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3876)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLU-036LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-121.1808)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLU-069ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.6006)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014GLU-164TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-26.9072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014HIE-043TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5072)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-025TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7822)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-027ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3760)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-081PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2117)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-085ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4448)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014ILE-088MET-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-061GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5146)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-070TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-1.7971)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-163ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LEU-174PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9184)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014LYS-023GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-124.5523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014SER-017GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-15.8126)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014SER-084GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-4.7796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-019GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-3.4259)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-021PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6778)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-022LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5557)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-022LYS-2', method='MP2CF12', mode='SA', basis='adz', value=-1.9349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014TYR-082PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.8689)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='014VAL-091ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4482)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ARG-020ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-99.8040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ARG-164ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6149)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-019THR-1', method='MP2CF12', mode='SA', basis='adz', value=-5.0050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-048GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-7.0406)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-069ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-2.9551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ASN-149PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6273)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015CYS-057LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1439)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015GLU-019LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-106.2769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-019PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4614)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-023LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-030LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-034LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-035ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7260)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015ILE-136HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-035TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9403)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-038LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-080PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6953)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-084TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2924)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LEU-102SER-1', method='MP2CF12', mode='SA', basis='adz', value=0.3941)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-047TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6819)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-047TYR-2', method='MP2CF12', mode='SA', basis='adz', value=-13.3517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-220ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-107.3789)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015LYS-223GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-4.4368)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015MET-023LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9231)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015MET-023LEU-2', method='MP2CF12', mode='SA', basis='adz', value=-0.9176)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015PHE-039ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015PHE-044LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5107)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015SER-018THR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.0523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015SER-037LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5741)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-019ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-021MET-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9522)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-060HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-8.9747)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015THR-061GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-5.5038)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015TRP-025THR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015TRP-096TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-3.8981)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015TYR-034ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.9545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='015VAL-060TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ARG-047PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.2967)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLN-048ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLN-098LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4138)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLN-101GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-2.2170)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016GLU-035TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-2.6779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ILE-021VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2098)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ILE-145LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4693)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016ILE-219PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8229)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-036LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.2540)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-046ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3089)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-062LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.2056)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-065LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6194)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-072PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5175)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-082SER-2', method='MP2CF12', mode='SA', basis='adz', value=0.4552)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-137ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6700)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LEU-141MET-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8122)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016LYS-085GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-105.7731)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-034VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.8433)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-036VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.7519)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-132ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9086)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-176PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.8259)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016PHE-192LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-2.1965)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016SER-031ASN-2', method='MP2CF12', mode='SA', basis='adz', value=-5.4048)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016THR-022MET-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016TYR-079ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6309)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-033THR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-055PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8207)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-059PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='016VAL-084ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ARG-056HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-8.6584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASN-021LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-19.3163)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASN-029ASN-2', method='MP2CF12', mode='SA', basis='adz', value=-6.6628)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASP-049ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-76.8687)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ASP-060HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-7.8717)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLN-024ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-7.9999)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLN-093VAL-1', method='MP2CF12', mode='SA', basis='adz', value=0.3400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLN-094ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-25.0264)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLU-036TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-3.3805)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017GLU-072PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-4.8157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017HIE-033ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-20.2956)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017HIE-035TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-6.0343)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-021LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-028LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-028LEU-2', method='MP2CF12', mode='SA', basis='adz', value=-0.3522)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-030PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8999)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-055HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.9885)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017ILE-149PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.5597)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-050ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4241)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-056PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6418)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-066LEU-1', method='MP2CF12', mode='SA', basis='adz', value=0.2719)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017LEU-083ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7023)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017MET-020LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4236)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-022SER-2', method='MP2CF12', mode='SA', basis='adz', value=-3.1632)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-025TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.7029)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-077ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-7.5559)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-081PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.6022)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017PHE-084LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4780)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017THR-078GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-14.4338)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017THR-307TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-1.8061)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='017VAL-049LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6927)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ALA-023VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4063)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ALA-026GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-2.8668)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ALA-027VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3898)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ARG-057THR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5479)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ASN-227ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0316)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ASP-032THR-1', method='MP2CF12', mode='SA', basis='adz', value=-19.7945)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ASP-034ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-4.1302)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018CYS-132HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-4.0393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018GLU-074ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.8920)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-022GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2805)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-052VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5077)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-055ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3718)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018ILE-055PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0961)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018LEU-039ILE-1', method='MP2CF12', mode='SA', basis='adz', value=1.6162)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018LYS-024TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.5058)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-060HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.7437)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-085GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5398)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-086VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1744)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018PRO-139LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8371)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018SER-024LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018SER-040GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-17.8592)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018THR-035ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5289)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018VAL-034ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6963)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018VAL-164TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6029)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='018VAL-166ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7829)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ALA-055HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5145)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ALA-058TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2984)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ARG-027ARG-1', method='MP2CF12', mode='SA', basis='adz', value=60.0045)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ASN-053VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0469)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019GLN-026GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.9926)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019GLU-022LYS-2', method='MP2CF12', mode='SA', basis='adz', value=-0.9985)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019GLU-025THR-1', method='MP2CF12', mode='SA', basis='adz', value=-17.1137)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019ILE-051VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-037ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5929)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-041VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8982)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-061ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6327)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-062LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LEU-062LEU-2', method='MP2CF12', mode='SA', basis='adz', value=-0.9551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LYS-027VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6191)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LYS-031HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019LYS-071GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-116.6198)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019PHE-049LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8060)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019SER-023ARG-1', method='MP2CF12', mode='SA', basis='adz', value=0.0352)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019SER-023ARG-2', method='MP2CF12', mode='SA', basis='adz', value=-5.9822)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019SER-026ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-14.5599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019THR-022MET-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3173)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019THR-035GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019THR-035GLU-2', method='MP2CF12', mode='SA', basis='adz', value=-2.7614)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019TYR-050TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-3.6947)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-027ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7114)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-058VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.1360)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-075LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3861)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-081LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-137ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3490)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-138VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.0732)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='019VAL-138VAL-2', method='MP2CF12', mode='SA', basis='adz', value=-0.4761)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ASN-039LYS-2', method='MP2CF12', mode='SA', basis='adz', value=-25.1681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ASN-040LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-23.9404)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ASP-082LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-79.5763)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020GLN-036TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-2.8416)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020GLN-059ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-2.1743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020HIE-062ASP-2', method='MP2CF12', mode='SA', basis='adz', value=10.5394)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020HIE-068LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-2.2800)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-023VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3665)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-032THR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6546)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-082ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4814)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020ILE-309ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3642)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LEU-024VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LEU-038ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3233)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LEU-042VAL-1', method='MP2CF12', mode='SA', basis='adz', value=1.0431)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020LYS-040GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-121.5420)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PHE-135PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.3785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PHE-149LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1058)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-023ARG-2', method='MP2CF12', mode='SA', basis='adz', value=0.9430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-177PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0079)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-178LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8438)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020PRO-181ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.2344)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020SER-058VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.1421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020SER-091ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5649)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='020VAL-029TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9004)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ALA-039TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ALA-057VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3045)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ALA-100ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1619)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ARG-033THR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5900)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ARG-035GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-4.4571)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ARG-035GLU-2', method='MP2CF12', mode='SA', basis='adz', value=-91.6103)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021GLN-024LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-22.5218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021GLN-024LYS-2', method='MP2CF12', mode='SA', basis='adz', value=-1.3127)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021GLN-057TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.9324)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021HIE-061PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.1776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-031HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5509)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-036VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6047)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-038VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1491)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-041PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5034)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-077LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.0810)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021ILE-088ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7704)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021LYS-032TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-11.5860)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021LYS-039ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7676)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021MET-058TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-3.8822)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021MET-062GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8016)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021MET-069ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2312)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-025GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-2.1329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-038VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-054ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8697)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-060PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-1.8757)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-072PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.8319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-072THR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.8382)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-076VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2125)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-079ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1343)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-082PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.8311)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-097LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6596)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-097LEU-2', method='MP2CF12', mode='SA', basis='adz', value=-1.7581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-113ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.1703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-131VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0156)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-251HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.1376)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021PHE-260ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1093)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021SER-142ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-1.8165)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021THR-148GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-0.1213)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021THR-150LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='021TYR-088PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.5695)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ARG-072GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-105.9026)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ARG-073GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-87.8948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-028GLN-1', method='MP2CF12', mode='SA', basis='adz', value=2.4360)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-046MET-1', method='MP2CF12', mode='SA', basis='adz', value=-2.8905)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-055ASN-1', method='MP2CF12', mode='SA', basis='adz', value=8.4819)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-058GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-3.8009)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022GLN-147TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-5.5207)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ILE-072HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1039)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022ILE-074ILE-1', method='MP2CF12', mode='SA', basis='adz', value=1.5922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-057THR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8423)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-058PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-062ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7326)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-065LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6223)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LEU-081LYS-2', method='MP2CF12', mode='SA', basis='adz', value=-0.8099)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022LYS-086ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022MET-041VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6945)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-027ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1093)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-031ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-039TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-1.9640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-040ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-041PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.8012)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-064VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0667)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-069VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2280)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-069VAL-2', method='MP2CF12', mode='SA', basis='adz', value=-1.5945)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-099ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-166ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022PHE-168TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.7966)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022SER-121LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-026THR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.7222)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-039TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.1699)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-040TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-2.4253)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-043ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9834)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-055LEU-2', method='MP2CF12', mode='SA', basis='adz', value=-2.0454)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022TRP-059VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022VAL-067LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022VAL-079TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9368)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='022VAL-079TYR-2', method='MP2CF12', mode='SA', basis='adz', value=-1.1916)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ASP-027ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-105.7966)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ASP-042ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-120.8165)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ASP-057ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-115.2514)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLN-177PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-1.9074)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLN-217THR-1', method='MP2CF12', mode='SA', basis='adz', value=-6.2734)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLU-028LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-2.1996)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023GLU-046LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-110.0923)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023ILE-060PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-035PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9515)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-035PHE-2', method='MP2CF12', mode='SA', basis='adz', value=-0.9342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-036ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0191)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-055ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4798)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LEU-097LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-029GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-79.9957)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-029GLU-2', method='MP2CF12', mode='SA', basis='adz', value=-4.3190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-064TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-7.8284)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023LYS-064TYR-2', method='MP2CF12', mode='SA', basis='adz', value=-1.4692)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023MET-038ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9834)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023SER-051ASN-1', method='MP2CF12', mode='SA', basis='adz', value=1.8055)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023THR-085ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3491)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023TYR-026LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023TYR-031TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-3.4966)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023VAL-041ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.2239)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='023VAL-055LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7832)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ALA-034ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3532)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ARG-073ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-16.2244)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ARG-076GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-109.1426)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-027ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-24.7381)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-027LEU-2', method='MP2CF12', mode='SA', basis='adz', value=-2.2616)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-029ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7669)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-034TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-4.1274)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-056PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.0370)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASN-058TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-4.6671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ASP-065HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-26.8998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024CYS-100ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-2.6126)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-040HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-25.4688)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-041LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0259)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-050ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-4.4379)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024GLU-054ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-105.0431)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024ILE-055TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9163)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-028GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-028GLU-2', method='MP2CF12', mode='SA', basis='adz', value=-2.3665)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-029GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-2.0497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-031LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0997)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-032VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5300)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-054VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5921)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-260ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2291)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LEU-261ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2197)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LYS-057TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1313)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LYS-069TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.2014)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024LYS-069TYR-2', method='MP2CF12', mode='SA', basis='adz', value=-9.6032)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-089LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.1867)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-089THR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4440)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-099TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-3.1896)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-100SER-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9735)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024PHE-130LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024SER-038THR-1', method='MP2CF12', mode='SA', basis='adz', value=4.1488)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024THR-041GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-3.8111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-032HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2315)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-049ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5804)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-054PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-079PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.1919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-142VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4894)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='024VAL-143GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3149)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ALA-035TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8737)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ALA-037ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ASN-181ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-7.4361)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ASN-183THR-1', method='MP2CF12', mode='SA', basis='adz', value=-5.8783)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-029LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2381)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-036THR-1', method='MP2CF12', mode='SA', basis='adz', value=1.1324)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-039TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-4.2168)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-260ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025GLN-274ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9858)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-028VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5758)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-036VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5976)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-056LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-059ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-2.0221)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-084ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.0126)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-084ILE-2', method='MP2CF12', mode='SA', basis='adz', value=-0.4278)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-090ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5471)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025ILE-091VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4615)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-055VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5041)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-060PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8463)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-075ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7637)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025LEU-075ILE-2', method='MP2CF12', mode='SA', basis='adz', value=-0.5225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025SER-035ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.2624)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025SER-075ASP-1', method='MP2CF12', mode='SA', basis='adz', value=4.3718)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025SER-100ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3177)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025THR-045THR-1', method='MP2CF12', mode='SA', basis='adz', value=-4.7141)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025THR-100TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3629)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025THR-103LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-17.3392)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-038MET-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7511)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-135ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1389)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-144LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9850)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-146PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-4.5891)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TRP-152GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-22.2219)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TYR-080ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-2.4525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TYR-081PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.1110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025TYR-084LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5793)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-029TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8830)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-057VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6428)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-069ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8145)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-083GLU-2', method='MP2CF12', mode='SA', basis='adz', value=-1.6075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='025VAL-185ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASN-054ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-7.4868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASN-055ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1943)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASN-058GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-15.5336)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASP-042PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2595)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ASP-077PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-3.5557)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLN-065HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8816)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLN-065HIE-2', method='MP2CF12', mode='SA', basis='adz', value=-0.9317)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLU-042HIE-1', method='MP2CF12', mode='SA', basis='adz', value=13.6270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLU-057TYR-2', method='MP2CF12', mode='SA', basis='adz', value=-25.0333)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026GLU-059ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-98.9390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ILE-037TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1325)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026ILE-078ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3966)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-037PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6705)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-039ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8616)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-040GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.9693)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-041VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1618)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026LEU-135ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8398)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-029PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.5748)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-099ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7713)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-103HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-3.0725)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026MET-168TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4823)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-030TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-1.9987)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-036PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.8328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-118ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2340)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026PHE-217THR-1', method='MP2CF12', mode='SA', basis='adz', value=-3.3417)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026THR-031LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026TYR-062ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0043)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026TYR-069TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.7525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026VAL-041GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-2.3567)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='026VAL-041GLU-2', method='MP2CF12', mode='SA', basis='adz', value=-2.1897)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ALA-074LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8616)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ALA-102ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2989)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ARG-049GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-96.4936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ARG-055THR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.2364)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ARG-094ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-97.1701)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ILE-039THR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6618)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ILE-046PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6843)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027ILE-075LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5238)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027LYS-089LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7798)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-030ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5053)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-057VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-2.0889)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-069SER-1', method='MP2CF12', mode='SA', basis='adz', value=-2.0567)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-071VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9551)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PHE-078GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-2.5305)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027PRO-032MET-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027SER-034ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027THR-036SER-1', method='MP2CF12', mode='SA', basis='adz', value=-5.6417)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-070TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-2.5255)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-085ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5357)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-086TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4243)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-088ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.0488)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='027VAL-090THR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4968)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ALA-038VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.2222)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ALA-041VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3125)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ARG-031GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-17.3969)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028GLU-072HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-24.9041)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028GLU-097LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-113.8528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-036LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5298)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-091VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5659)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-106VAL-1', method='MP2CF12', mode='SA', basis='adz', value=0.7147)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028ILE-151VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9070)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-037VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7709)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-055LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-2.3267)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-058ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-059ARG-2', method='MP2CF12', mode='SA', basis='adz', value=-0.8445)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-061GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0960)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LEU-133PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LYS-067TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.6415)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028LYS-317ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-20.9533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028MET-031ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-3.9147)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028MET-037ARG-2', method='MP2CF12', mode='SA', basis='adz', value=-0.8591)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028MET-040HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.5989)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028PRO-058LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8198)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028PRO-111LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0986)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028SER-055THR-1', method='MP2CF12', mode='SA', basis='adz', value=-4.8538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028SER-056GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-2.6328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-031THR-1', method='MP2CF12', mode='SA', basis='adz', value=2.1920)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-036MET-1', method='MP2CF12', mode='SA', basis='adz', value=1.3825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-038VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6850)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-058PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.4220)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-085GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-086ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-0.2415)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-105PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7835)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-128PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='028VAL-170LEU-1', method='MP2CF12', mode='SA', basis='adz', value=0.0035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ALA-274ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6960)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ASN-034LYS-2', method='MP2CF12', mode='SA', basis='adz', value=-26.9531)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ASN-179SER-1', method='MP2CF12', mode='SA', basis='adz', value=0.2808)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029ASP-070ASP-1', method='MP2CF12', mode='SA', basis='adz', value=82.1263)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029GLN-033ASP-1', method='MP2CF12', mode='SA', basis='adz', value=5.1807)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029GLU-045LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-2.3010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029GLU-055SER-1', method='MP2CF12', mode='SA', basis='adz', value=-18.7668)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-034VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5559)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-036PHE-2', method='MP2CF12', mode='SA', basis='adz', value=-2.1753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-040GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7580)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-045GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2180)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LEU-095TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4739)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029LYS-035GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-2.6828)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-094LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0193)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-101TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-103HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4169)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-168TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.1964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PHE-177ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029PRO-085GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-10.3758)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029THR-121TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029THR-121TYR-2', method='MP2CF12', mode='SA', basis='adz', value=-4.5804)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-302SER-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-305ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.6751)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-308ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-8.9049)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TRP-315PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.0659)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029TYR-049GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-2.3565)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029VAL-036VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5418)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029VAL-054LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3208)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='029VAL-087LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.0784)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ALA-274ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8884)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ASP-320ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-101.0467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLN-034TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-1.7857)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLN-034TRP-2', method='MP2CF12', mode='SA', basis='adz', value=-3.3572)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLN-036MET-1', method='MP2CF12', mode='SA', basis='adz', value=-2.1828)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-033GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-15.8625)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-034ASP-1', method='MP2CF12', mode='SA', basis='adz', value=67.4035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-038PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-042PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9546)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-049PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-5.4136)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030GLU-061LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-114.8017)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ILE-034LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6209)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ILE-055ILE-1', method='MP2CF12', mode='SA', basis='adz', value=1.1899)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030ILE-093TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1409)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LEU-034LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6332)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-078TYR-2', method='MP2CF12', mode='SA', basis='adz', value=-7.2703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-083GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-118.6890)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-085GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-4.6165)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030LYS-169THR-1', method='MP2CF12', mode='SA', basis='adz', value=-16.3682)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-042LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-044ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-061GLU-2', method='MP2CF12', mode='SA', basis='adz', value=-1.3769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PHE-151ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.6902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030PRO-057MET-1', method='MP2CF12', mode='SA', basis='adz', value=-0.2898)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030SER-109GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-17.7203)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030THR-121LYS-1', method='MP2CF12', mode='SA', basis='adz', value=0.8636)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-033THR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-036PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-3.3519)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-042GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-20.9811)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-046LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-2.9435)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-073PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1738)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-079LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-103PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-3.6157)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-171THR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8341)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-176SER-2', method='MP2CF12', mode='SA', basis='adz', value=-6.0340)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-212GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-18.0451)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-213GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-5.0109)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-216SER-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2299)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030TRP-217THR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1198)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030VAL-033VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.1139)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030VAL-044LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5870)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='030VAL-050ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8524)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ALA-088VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3973)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ASP-034HIE-1', method='MP2CF12', mode='SA', basis='adz', value=20.7576)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-035LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9619)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-037SER-1', method='MP2CF12', mode='SA', basis='adz', value=-6.1926)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-109LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-125LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0046)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031HIE-128GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-14.9202)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ILE-034ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6147)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ILE-097TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2001)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031ILE-246ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.2099)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-091LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4275)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-125LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-168LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7106)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031LEU-213GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-2.6540)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-060THR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8403)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-061ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1916)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-062HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3801)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-076ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5937)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-092TRP-2', method='MP2CF12', mode='SA', basis='adz', value=-2.9261)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PHE-095TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.5077)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031PRO-097VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4531)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031THR-085GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-17.0893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031THR-128PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6763)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-060ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-23.6360)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-164VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.9367)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-168GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-2.4995)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-168GLN-2', method='MP2CF12', mode='SA', basis='adz', value=-3.3058)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TRP-171ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3851)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TYR-037PHE-2', method='MP2CF12', mode='SA', basis='adz', value=-3.0287)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TYR-048HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.3507)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031TYR-051GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-2.3773)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-056PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9238)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-068LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0189)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-071VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7043)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-073VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6223)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='031VAL-077ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1705)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032ASP-040HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-3.5709)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLN-116ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-21.1544)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLU-035ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-114.7895)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLU-169THR-1', method='MP2CF12', mode='SA', basis='adz', value=-3.3463)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032GLU-169THR-2', method='MP2CF12', mode='SA', basis='adz', value=-17.0086)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032ILE-036GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8450)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032ILE-065LEU-1', method='MP2CF12', mode='SA', basis='adz', value=0.7187)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-080GLU-2', method='MP2CF12', mode='SA', basis='adz', value=-107.2601)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-083LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9572)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-091LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-2.6559)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032LYS-091LEU-2', method='MP2CF12', mode='SA', basis='adz', value=-0.6495)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032PHE-058ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-2.2888)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032PHE-081VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9122)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032PHE-095LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-2.0916)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032SER-057GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-16.0673)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032THR-093LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032THR-094LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9708)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032THR-128LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4115)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-062ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-1.8456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-073PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-3.0567)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-074VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9594)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032TRP-083ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-7.6806)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-042ILE-1', method='MP2CF12', mode='SA', basis='adz', value=0.3690)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-052VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-056HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8876)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-068LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5221)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-080ARG-1', method='MP2CF12', mode='SA', basis='adz', value=0.2036)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='032VAL-100VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3286)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ARG-189PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-2.1691)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ARG-191LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ARG-191LEU-2', method='MP2CF12', mode='SA', basis='adz', value=-2.3042)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ASP-276SER-1', method='MP2CF12', mode='SA', basis='adz', value=-17.5687)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ASP-279LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-121.6618)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ASP-279LYS-2', method='MP2CF12', mode='SA', basis='adz', value=-3.7062)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033CYS-047TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-3.4366)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033GLN-092ASN-2', method='MP2CF12', mode='SA', basis='adz', value=-7.8597)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033GLU-036ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-116.6399)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033HIE-060MET-2', method='MP2CF12', mode='SA', basis='adz', value=-2.3629)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033HIE-062THR-1', method='MP2CF12', mode='SA', basis='adz', value=4.3313)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ILE-037ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-1.9568)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033ILE-061VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6798)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-053VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8055)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-059ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-061PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033LEU-089ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7573)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033PHE-058PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1219)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033THR-100GLN-1', method='MP2CF12', mode='SA', basis='adz', value=0.0351)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-062HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.0233)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-091ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-8.2368)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-094ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.7884)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033TYR-094ILE-2', method='MP2CF12', mode='SA', basis='adz', value=-1.4179)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033VAL-048ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8683)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033VAL-055VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3672)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='033VAL-091ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ALA-133LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9324)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ALA-152GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-4.0515)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ARG-060TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-15.9474)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ARG-064LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.8570)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASN-076SER-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6041)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASN-078TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.1660)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASP-037PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.9456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ASP-061ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-81.6936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034HIE-057HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2113)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034ILE-037TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4542)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LEU-038TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2778)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LEU-044TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5256)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-068GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-108.2762)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-070TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0956)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-070TRP-2', method='MP2CF12', mode='SA', basis='adz', value=-1.0792)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-086TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034LYS-086TYR-2', method='MP2CF12', mode='SA', basis='adz', value=-6.8164)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-045TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-4.8602)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-058CYS-1', method='MP2CF12', mode='SA', basis='adz', value=-2.0202)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-062HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9352)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-069MET-1', method='MP2CF12', mode='SA', basis='adz', value=-2.3317)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-072LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9760)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PHE-100VAL-2', method='MP2CF12', mode='SA', basis='adz', value=-2.4746)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PRO-065ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8623)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034PRO-075PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4484)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034SER-105LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5519)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TRP-037TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-3.0502)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-136ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2343)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-143MET-1', method='MP2CF12', mode='SA', basis='adz', value=-3.1305)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-148VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6644)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034TYR-277TYR-1', method='MP2CF12', mode='SA', basis='adz', value=0.5833)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-046LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4862)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-048PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7580)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-072VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4655)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-077LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3474)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='034VAL-111LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9834)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ALA-065LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8733)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ALA-067ARG-1', method='MP2CF12', mode='SA', basis='adz', value=0.2358)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ARG-041THR-1', method='MP2CF12', mode='SA', basis='adz', value=-13.3951)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ARG-042VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8289)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ASN-172GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-10.5474)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ASN-174TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2101)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035ASP-046ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-98.5715)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035CYS-038CYS-1', method='MP2CF12', mode='SA', basis='adz', value=2.0085)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035CYS-154THR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.8091)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035GLU-189PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4869)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035HIE-059ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1327)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035HIE-059ARG-2', method='MP2CF12', mode='SA', basis='adz', value=-5.9351)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035HIE-061ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-2.3478)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LEU-061PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LEU-085LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5095)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LYS-083TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-4.3460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035LYS-090GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-5.9352)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-047TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.4583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-062THR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.9426)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-097LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4406)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-111PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.2671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035PHE-128PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.6654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035THR-112LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-1.7767)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-045HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.2921)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-058PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-4.2042)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-064ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9155)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-157VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='035TRP-161LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-16.6947)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ARG-042GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-109.5336)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ARG-162GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-18.7075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036CYS-039CYS-1', method='MP2CF12', mode='SA', basis='adz', value=0.0605)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLN-040HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.1899)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLN-105LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-039ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-118.5474)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-039LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-113.4999)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-045LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2041)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-053VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6418)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036GLU-056ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-81.4130)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036HIE-063LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.8393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ILE-040THR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.8212)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ILE-061ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036ILE-063TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7960)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-039MET-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9957)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-041ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-046PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5299)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-046PHE-2', method='MP2CF12', mode='SA', basis='adz', value=-0.7349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-047TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.0522)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036LEU-098ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036MET-049LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.1521)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036MET-054VAL-1', method='MP2CF12', mode='SA', basis='adz', value=3.0437)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036PHE-075SER-2', method='MP2CF12', mode='SA', basis='adz', value=-2.2463)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036PHE-113ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-5.1825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036PHE-303TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-1.8158)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036SER-069THR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.1808)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036THR-090GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-19.2948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036THR-104MET-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036THR-133PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5976)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036TRP-047PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1645)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036TRP-049PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-2.0964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036VAL-060TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036VAL-070TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-2.3193)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='036VAL-086TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9051)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ALA-056ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4558)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ARG-152GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-118.9658)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASN-040THR-1', method='MP2CF12', mode='SA', basis='adz', value=3.1982)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASN-067GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-5.8657)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASP-040ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-79.3897)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ASP-064TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-18.6065)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037HIE-050GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-24.4286)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-116PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8306)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-125LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8993)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-162PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6821)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037ILE-165VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4244)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037LYS-162PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0570)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037PHE-048HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.8373)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037SER-043ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-6.2306)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037THR-053ILE-1', method='MP2CF12', mode='SA', basis='adz', value=0.6171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037THR-085LYS-2', method='MP2CF12', mode='SA', basis='adz', value=0.6614)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-050ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-2.5983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-053LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3219)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-055LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-15.2730)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TRP-055LYS-2', method='MP2CF12', mode='SA', basis='adz', value=-0.9345)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-046THR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0858)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-050LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-2.8485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-066LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1223)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='037TYR-068VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0311)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ASN-199LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4890)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ASN-202PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-3.1347)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038CYS-095PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3004)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038GLN-042ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-21.5361)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ILE-085ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6353)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038ILE-094LYS-1', method='MP2CF12', mode='SA', basis='adz', value=0.0316)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-045PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8552)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-047TYR-2', method='MP2CF12', mode='SA', basis='adz', value=-1.5829)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-054LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5619)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-109SER-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6917)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LEU-109VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.2311)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038LYS-047PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.3276)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038MET-041LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5210)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038MET-146PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.6038)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-042PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-3.2402)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-042VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-2.0790)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-046ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-2.2925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-049PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5683)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-061VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.7940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-061VAL-2', method='MP2CF12', mode='SA', basis='adz', value=-1.3002)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PHE-101PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0867)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038PRO-108ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-1.8906)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038THR-053PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9185)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-063TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-4.7460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-065PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-2.8592)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-068TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.2902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-073ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-078ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-081TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.8865)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-082ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4129)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TRP-132ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2505)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038TYR-060TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.8498)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-041VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.2590)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-072PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.8147)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-082PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8495)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='038VAL-083ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.2418)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ALA-095PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.3203)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ARG-043ASN-2', method='MP2CF12', mode='SA', basis='adz', value=5.1275)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASN-042ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-21.8153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASN-081SER-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6915)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASN-083TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9982)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ASP-057THR-1', method='MP2CF12', mode='SA', basis='adz', value=-17.1711)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039GLN-047ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-16.0545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039HIE-057HIE-1', method='MP2CF12', mode='SA', basis='adz', value=8.8833)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-054LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-055TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1227)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-108ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039ILE-109CYS-1', method='MP2CF12', mode='SA', basis='adz', value=2.1237)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039LYS-043HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0885)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039PRO-165PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.2944)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039PRO-166ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6449)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039PRO-199LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3246)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039SER-054GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-17.6827)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039SER-067GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-18.9939)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-046THR-1', method='MP2CF12', mode='SA', basis='adz', value=-5.3687)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-077LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-079LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039THR-083VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3770)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-052SER-1', method='MP2CF12', mode='SA', basis='adz', value=-3.9660)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-064VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2052)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-066LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.9891)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TRP-066LEU-2', method='MP2CF12', mode='SA', basis='adz', value=-2.2653)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039TYR-043ILE-1', method='MP2CF12', mode='SA', basis='adz', value=0.8803)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='039VAL-083TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.0602)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASN-073PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.8558)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASN-077TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.4523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASN-090ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-10.3415)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ASP-065THR-1', method='MP2CF12', mode='SA', basis='adz', value=2.2187)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040GLU-045GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-18.7225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040HIE-103HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-10.4995)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040HIE-105LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-2.0081)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ILE-054VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4670)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040ILE-057LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6679)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040LEU-063TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0798)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040MET-085ARG-1', method='MP2CF12', mode='SA', basis='adz', value=0.6577)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040PHE-052TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.4326)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040PHE-116PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.2902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040PHE-133PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.8596)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-044TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4119)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-048VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8309)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-162GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-186TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6188)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040THR-270TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7124)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-052GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-3.4009)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-055LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7227)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-121ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.3550)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-121ILE-2', method='MP2CF12', mode='SA', basis='adz', value=-0.6263)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TRP-122THR-1', method='MP2CF12', mode='SA', basis='adz', value=-3.4466)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-045TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-3.7088)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-055VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-076VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2441)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-079ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6223)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040TYR-082PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2006)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='040VAL-063VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3975)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ALA-047TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-2.4697)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ALA-081GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0162)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ALA-121ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4008)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ARG-051PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.6948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ASP-084ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-92.5850)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041GLU-045LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-107.5222)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-058ARG-1', method='MP2CF12', mode='SA', basis='adz', value=0.0331)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-061PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7746)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-107PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5242)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041ILE-107PHE-2', method='MP2CF12', mode='SA', basis='adz', value=-1.4216)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-146PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6945)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-155PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9131)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-162PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.0453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LEU-170TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-1.7082)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LYS-045GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4651)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LYS-107PHE-2', method='MP2CF12', mode='SA', basis='adz', value=-2.4930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041LYS-110SER-1', method='MP2CF12', mode='SA', basis='adz', value=-19.3110)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-047SER-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-054HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-3.6182)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-073ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6927)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-077LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9340)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-094LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-6.7447)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-094LYS-2', method='MP2CF12', mode='SA', basis='adz', value=-2.3498)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041PHE-104VAL-2', method='MP2CF12', mode='SA', basis='adz', value=-1.8629)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041VAL-059LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7854)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='041VAL-064LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-0.2813)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ALA-082ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.2430)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ASP-045THR-1', method='MP2CF12', mode='SA', basis='adz', value=-19.4721)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-095PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-5.2201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-101PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-4.2767)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-103PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-6.6731)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042GLU-121ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-2.8640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ILE-049PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9482)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ILE-052PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6193)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042ILE-056PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.9263)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-047ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5034)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-048ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0853)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-048VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9290)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-103HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8023)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LEU-105LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5305)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042LYS-049GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-123.0812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-049PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3478)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-054PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.2362)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-056SER-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1438)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-061LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6767)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-064LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2836)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-074LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-2.2412)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-077PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.7530)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-085PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.7304)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-087LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2546)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-088ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-4.7039)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-089ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-089MET-1', method='MP2CF12', mode='SA', basis='adz', value=-1.9375)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-092TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.8010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042PHE-101VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0117)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042SER-058ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2493)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042SER-062ASP-1', method='MP2CF12', mode='SA', basis='adz', value=4.0533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042THR-052ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-4.6354)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='042TRP-049ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-12.5209)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ALA-073PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5465)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ALA-077TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3360)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ASP-054HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-25.5716)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ASP-058ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-119.2855)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ASP-062TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.1077)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043GLU-104ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-2.1912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043ILE-055LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.0229)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-050PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8495)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-055THR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5600)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-071PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-114SER-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5480)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043LEU-161TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.1462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043MET-048ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5219)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043MET-060VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7152)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043PHE-065PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.7564)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043PHE-068TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-2.0988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043PHE-073PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4774)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043THR-059LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5094)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-048GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-2.6224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-049THR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2298)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-068LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-2.2990)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-185HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-3.7020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043TYR-186TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.5258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043VAL-066LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='043VAL-069VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ALA-052ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0939)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ASN-048THR-2', method='MP2CF12', mode='SA', basis='adz', value=-5.7180)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ASN-059THR-1', method='MP2CF12', mode='SA', basis='adz', value=-4.2735)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044GLN-061LYS-2', method='MP2CF12', mode='SA', basis='adz', value=-28.0214)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044GLU-084ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-94.8890)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044HIE-067HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.9677)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044HIE-073TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-2.6342)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044HIE-086GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-25.8147)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044ILE-101HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-079VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4571)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-101ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5474)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-272GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-2.0562)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044LEU-272GLN-2', method='MP2CF12', mode='SA', basis='adz', value=-1.0035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044MET-061VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7060)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044PHE-048LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2585)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044PHE-130VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-3.1520)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044PRO-053ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-3.7272)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044SER-093ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-14.4274)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044SER-118ARG-2', method='MP2CF12', mode='SA', basis='adz', value=-10.8017)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044THR-118TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2687)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TRP-048TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.6765)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TRP-085PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-4.0925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TRP-147TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5117)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-048LYS-2', method='MP2CF12', mode='SA', basis='adz', value=-15.9283)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-059ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2426)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-077LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6200)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044TYR-109LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4774)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='044VAL-174MET-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5592)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045ALA-054HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7179)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045ALA-071HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.2962)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045ASP-081GLU-1', method='MP2CF12', mode='SA', basis='adz', value=89.4526)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045GLN-062LYS-2', method='MP2CF12', mode='SA', basis='adz', value=-24.1917)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045HIE-051GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-23.7673)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045HIE-053ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.1715)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-049GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.1726)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-049TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.0412)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-054PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1226)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-055ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-2.8093)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-070PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LEU-097LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9036)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LYS-048GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-4.5870)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045LYS-084GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-72.2338)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-057GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-7.6919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-061VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5808)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-066PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.9789)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PHE-075LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-10.2766)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PRO-080VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4914)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045PRO-100VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-048ALA-2', method='MP2CF12', mode='SA', basis='adz', value=-0.5785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-066VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5027)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-097SER-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4350)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045THR-168LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-048ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9445)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-049ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1340)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-100VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TRP-272GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-4.9190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='045TYR-053THR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.1074)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-050ASP-2', method='MP2CF12', mode='SA', basis='adz', value=-95.3632)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-092TYR-1', method='MP2CF12', mode='SA', basis='adz', value=0.8960)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-182GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-76.7181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ARG-273GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-114.1820)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ASP-083ASP-2', method='MP2CF12', mode='SA', basis='adz', value=55.4367)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ILE-071GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7340)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046ILE-074LEU-1', method='MP2CF12', mode='SA', basis='adz', value=10.1649)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046LEU-068ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4823)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046LEU-103PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0900)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-050LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-3.0371)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-084LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.9285)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-088MET-1', method='MP2CF12', mode='SA', basis='adz', value=-1.9655)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-107PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.8875)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-119GLN-2', method='MP2CF12', mode='SA', basis='adz', value=-1.0290)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-121LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.8444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PHE-161TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.3511)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PRO-140ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5293)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046PRO-141ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9121)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046SER-054PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.4382)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046SER-088ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-6.0051)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046THR-069ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-4.2378)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='046VAL-094PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9381)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ARG-050GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-81.8348)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ARG-059MET-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3136)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ASN-062LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ASN-276PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1589)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047ILE-064LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4460)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047LEU-055LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3567)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047LYS-059ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-113.9483)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047PRO-164TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-1.9490)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047SER-065PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0961)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TRP-081GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-9.4982)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TRP-083TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.1059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-052PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2082)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-053ASP-1', method='MP2CF12', mode='SA', basis='adz', value=1.5343)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-055ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-058TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-3.1803)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-075ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.9782)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-077HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8677)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-111PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6720)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='047TYR-136TYR-1', method='MP2CF12', mode='SA', basis='adz', value=2.8848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ARG-060MET-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5531)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ASN-052ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-4.5945)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ASP-081THR-1', method='MP2CF12', mode='SA', basis='adz', value=-19.4831)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ASP-131LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-115.1569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048GLN-070SER-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0092)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-052PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5079)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-091ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-6.3329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-099HIE-2', method='MP2CF12', mode='SA', basis='adz', value=-3.1652)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-174MET-1', method='MP2CF12', mode='SA', basis='adz', value=-3.9026)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048HIE-178ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-26.5270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ILE-052ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0563)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ILE-272GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0077)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048ILE-279ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0295)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-070PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0865)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-070PHE-2', method='MP2CF12', mode='SA', basis='adz', value=-1.1324)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-074TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.8603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-074TYR-2', method='MP2CF12', mode='SA', basis='adz', value=-1.6152)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-077GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LEU-141PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3752)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LYS-082ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8762)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048LYS-098GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-110.0997)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048PHE-058PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.9600)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048PHE-101LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048PHE-105TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.8379)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048VAL-093THR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.2480)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048VAL-095LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6366)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='048VAL-099ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ALA-092TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2679)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ARG-167GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-20.8107)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049GLU-080ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-92.4317)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ILE-059ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-3.3686)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ILE-070PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0414)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049ILE-100VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7020)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LEU-054VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4911)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LEU-107PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.7404)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LYS-121LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049LYS-158ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-6.5904)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-056PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.7759)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-057GLN-2', method='MP2CF12', mode='SA', basis='adz', value=-3.2637)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-091ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1913)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PHE-093VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-2.9084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049PRO-052TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0484)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049THR-053LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049TYR-054PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049TYR-098GLU-1', method='MP2CF12', mode='SA', basis='adz', value=3.6082)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049TYR-102ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-4.4396)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-053THR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6651)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-124GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7340)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-127LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='049VAL-131VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7036)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ALA-081PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0840)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ARG-054THR-1', method='MP2CF12', mode='SA', basis='adz', value=-12.2720)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASN-083TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASP-053THR-1', method='MP2CF12', mode='SA', basis='adz', value=-18.7478)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASP-067PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.4840)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ASP-092TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-24.2937)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050GLN-055TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-5.6719)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050HIE-065PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-3.3981)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050HIE-087TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-11.0955)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ILE-053ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6686)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ILE-071PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9043)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050ILE-079VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.1577)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050LYS-056GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-111.6392)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PHE-071PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6365)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PRO-053TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6142)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PRO-058PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.8848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050PRO-096TYR-1', method='MP2CF12', mode='SA', basis='adz', value=0.2096)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050SER-066PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1848)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050THR-143THR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.2920)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050TRP-054GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-6.5493)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='050VAL-054THR-1', method='MP2CF12', mode='SA', basis='adz', value=1.7348)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051CYS-154LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-8.0379)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051CYS-156THR-1', method='MP2CF12', mode='SA', basis='adz', value=1.7422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLN-089GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-5.3984)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLN-089GLU-2', method='MP2CF12', mode='SA', basis='adz', value=-24.6050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLN-098TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.4143)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLU-056MET-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4373)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051GLU-056MET-2', method='MP2CF12', mode='SA', basis='adz', value=-3.1850)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051HIE-277ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-24.2155)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051ILE-068LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1184)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-055ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-2.9568)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-080ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-1.9141)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-096TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.9577)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051LEU-131LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0441)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-058VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4774)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-091ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-5.7890)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-091ARG-2', method='MP2CF12', mode='SA', basis='adz', value=-1.9643)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051PHE-175PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3759)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051THR-152PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3041)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-093VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5878)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-095LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7146)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-097ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-7.2645)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-097ARG-2', method='MP2CF12', mode='SA', basis='adz', value=-2.4618)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051TRP-107PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.2693)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051VAL-071ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7344)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='051VAL-104ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5423)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ASN-061ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-7.0030)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ASN-143THR-1', method='MP2CF12', mode='SA', basis='adz', value=1.7301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052GLN-069ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-9.8458)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052GLN-117PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1361)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ILE-056GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ILE-087VAL-1', method='MP2CF12', mode='SA', basis='adz', value=0.0708)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052ILE-100VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.2705)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-060LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5345)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-062PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6607)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-062PHE-2', method='MP2CF12', mode='SA', basis='adz', value=-1.6475)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-070PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9243)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-141PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4437)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052LEU-152PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8082)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-056MET-1', method='MP2CF12', mode='SA', basis='adz', value=-3.0756)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-061CYS-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3664)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-071PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3801)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-073THR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3649)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-075ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4264)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-111PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3793)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-141MET-1', method='MP2CF12', mode='SA', basis='adz', value=-2.5344)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-148ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PHE-157ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3850)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052PRO-109LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7113)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052SER-063PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1580)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052TYR-058PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.7922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052TYR-061ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-24.9049)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052TYR-116PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.9452)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='052VAL-057SER-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3405)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ASN-063SER-1', method='MP2CF12', mode='SA', basis='adz', value=-4.4111)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ASN-131VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4212)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ASP-058TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8875)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-066LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.1709)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-069PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2908)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-075LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.2289)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053ILE-077LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053LEU-057PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1051)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053LEU-091ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7756)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053MET-140ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-6.0960)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053SER-089GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-19.5440)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-059LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5440)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-083ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-25.5709)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-092TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.5975)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-094LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-2.0964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-142ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4017)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053TYR-169MET-1', method='MP2CF12', mode='SA', basis='adz', value=-3.7783)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-057ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-2.3043)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-068PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5729)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-074ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8042)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='053VAL-117PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6160)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054ASN-069PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-4.6945)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054ASN-141ASN-1', method='MP2CF12', mode='SA', basis='adz', value=1.8670)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054GLU-057ARG-2', method='MP2CF12', mode='SA', basis='adz', value=-93.9400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054GLU-058ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-117.8069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054GLU-141GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-13.3180)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054ILE-074ALA-1', method='MP2CF12', mode='SA', basis='adz', value=0.1914)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-061LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9505)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-063PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-069VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4547)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-091LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9479)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054LEU-091LEU-2', method='MP2CF12', mode='SA', basis='adz', value=0.2788)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054PHE-101ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7993)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054THR-057ASP-2', method='MP2CF12', mode='SA', basis='adz', value=1.2900)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054VAL-091ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.2555)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='054VAL-097ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASN-058GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-5.1194)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASN-058TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.8292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-069ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-117.9365)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-104LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-86.2919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-105TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-10.6707)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ASP-185ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-112.0555)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055GLN-272GLU-1', method='MP2CF12', mode='SA', basis='adz', value=5.8104)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055GLU-121LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-059ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8088)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-061CYS-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9032)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-151THR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055ILE-155ILE-1', method='MP2CF12', mode='SA', basis='adz', value=1.0474)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055LEU-060VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8234)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055PHE-139ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1765)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055PHE-141GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-1.7593)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055PHE-141GLN-2', method='MP2CF12', mode='SA', basis='adz', value=-1.8925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055SER-071PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6434)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055SER-152PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.9228)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055THR-072THR-1', method='MP2CF12', mode='SA', basis='adz', value=0.2704)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='055VAL-059ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ALA-061VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5651)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ALA-175PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8882)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ARG-061LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4527)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056HIE-287LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0697)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056HIE-287LEU-2', method='MP2CF12', mode='SA', basis='adz', value=-1.4131)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ILE-059PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4452)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056ILE-059PHE-2', method='MP2CF12', mode='SA', basis='adz', value=-1.4000)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056LEU-069LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056LYS-160ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-109.4419)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056MET-059MET-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5844)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056MET-181ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0047)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056PHE-062PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5649)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056PHE-129PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.0974)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056PHE-152PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056SER-076LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5315)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056TYR-062TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-3.8483)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056TYR-064VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.1935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='056TYR-084ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.0610)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057ARG-067VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5480)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057GLU-061ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-88.6132)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057MET-060MET-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2682)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-060LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3496)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-066ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3633)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-098VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.8076)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-116PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2810)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PHE-163ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3614)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057PRO-063TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6909)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057TYR-091LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-2.8432)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057VAL-084ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-3.5594)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057VAL-084ASP-2', method='MP2CF12', mode='SA', basis='adz', value=-2.3412)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='057VAL-181ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ARG-062LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9867)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ARG-141GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-10.0135)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ASP-279LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-108.5124)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058GLN-067PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.7555)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058GLN-067PHE-2', method='MP2CF12', mode='SA', basis='adz', value=-1.1573)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058HIE-067GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-1.7893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058HIE-115GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-4.1655)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058ILE-097TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-1.9443)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LEU-071VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9412)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LEU-084LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.2146)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LEU-094GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8002)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058LYS-122VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-2.4230)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-062ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0444)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-062TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-3.8413)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-070TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-4.2587)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-081PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.4967)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-101ILE-1', method='MP2CF12', mode='SA', basis='adz', value=0.3569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058PHE-131VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6474)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TRP-084SER-1', method='MP2CF12', mode='SA', basis='adz', value=-3.6416)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TRP-180SER-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2203)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-062GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1454)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-062GLN-2', method='MP2CF12', mode='SA', basis='adz', value=-2.5468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-062LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-8.6533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-066VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8164)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-068ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7915)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058TYR-077ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2217)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='058VAL-085ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3451)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ARG-065MET-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5448)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ARG-067GLN-2', method='MP2CF12', mode='SA', basis='adz', value=-23.2181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ASN-062LYS-2', method='MP2CF12', mode='SA', basis='adz', value=-27.3179)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ILE-068ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8073)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059ILE-094LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LEU-117VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9022)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LEU-117VAL-2', method='MP2CF12', mode='SA', basis='adz', value=-0.3703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LEU-119GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-1.7167)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LYS-063ASP-2', method='MP2CF12', mode='SA', basis='adz', value=-115.7699)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LYS-075TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-7.6329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059LYS-135ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-3.4317)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-063ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-4.0337)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-118THR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5304)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-120TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-2.0167)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059PHE-127ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059THR-088TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059VAL-084LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0547)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='059VAL-136TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6000)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060ALA-081LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7605)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060ASP-165ASP-1', method='MP2CF12', mode='SA', basis='adz', value=77.7232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-068PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7666)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-095PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-095PHE-2', method='MP2CF12', mode='SA', basis='adz', value=-1.0608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-098VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5653)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-120VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2207)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060LEU-152PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1879)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060MET-070GLU-1', method='MP2CF12', mode='SA', basis='adz', value=0.7092)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060THR-087LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-18.1582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060THR-176ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-13.0116)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060TYR-064LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2749)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060TYR-128PRO-2', method='MP2CF12', mode='SA', basis='adz', value=-1.7669)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060VAL-063TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2679)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='060VAL-157PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9380)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ALA-080ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.2670)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ARG-083GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-2.6893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ARG-083GLU-2', method='MP2CF12', mode='SA', basis='adz', value=-91.5990)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ARG-084LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5734)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ASN-065ASN-2', method='MP2CF12', mode='SA', basis='adz', value=-4.8724)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ASP-065LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-6.5914)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-080ARG-2', method='MP2CF12', mode='SA', basis='adz', value=-78.0247)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-088PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-5.1225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-142MET-1', method='MP2CF12', mode='SA', basis='adz', value=-8.1594)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061GLU-145LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.8222)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-064PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9968)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-086ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2023)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-089MET-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-091ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.1576)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-092TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-098LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8670)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061ILE-155ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-2.6886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061LEU-065MET-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6663)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061LEU-079ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4754)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-068VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7248)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-086VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2897)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-086VAL-2', method='MP2CF12', mode='SA', basis='adz', value=-0.8564)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-099ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-2.5753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PHE-117VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8521)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061PRO-088PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061THR-081THR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4318)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061THR-083GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-15.7619)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061TYR-066LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-2.3617)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061VAL-064TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4739)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061VAL-066VAL-1', method='MP2CF12', mode='SA', basis='adz', value=0.1734)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='061VAL-068ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0223)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ALA-070MET-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4419)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ASP-080ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-86.6303)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-110GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-6.7033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-112PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-171PRO-1', method='MP2CF12', mode='SA', basis='adz', value=1.6954)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-173TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.7742)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062GLN-173TYR-2', method='MP2CF12', mode='SA', basis='adz', value=-1.7987)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-070GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-7.7583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-072LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0099)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-073TYR-1', method='MP2CF12', mode='SA', basis='adz', value=3.9051)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062HIE-076ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8570)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-067ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3980)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-069TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.3208)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-105TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6123)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062ILE-107PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9418)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LEU-075ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4200)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LEU-077ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8017)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LEU-079LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6223)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LYS-067PHE-2', method='MP2CF12', mode='SA', basis='adz', value=-2.0338)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062LYS-147GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-3.5409)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062PHE-120TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.9679)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062PHE-128PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-0.1850)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062THR-099ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-10.0301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062THR-102HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4057)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TRP-073ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-1.9538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TRP-164PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-4.5573)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TRP-166PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3666)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-077PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.5035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-083GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-22.5680)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-084ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2212)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-093ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6065)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='062TYR-095TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-2.5482)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063ASN-081THR-1', method='MP2CF12', mode='SA', basis='adz', value=-3.3336)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063GLN-067ASP-1', method='MP2CF12', mode='SA', basis='adz', value=12.2410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063GLN-136TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-3.6701)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063GLN-165ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-9.7318)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063ILE-077LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4142)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063LEU-068HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5563)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063LEU-108LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6721)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063LEU-140LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3180)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-090GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8778)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-090GLN-2', method='MP2CF12', mode='SA', basis='adz', value=-1.0374)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-091ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0276)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063PRO-094VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0751)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063THR-092TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5951)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-081TYR-1', method='MP2CF12', mode='SA', basis='adz', value=0.9831)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-085MET-1', method='MP2CF12', mode='SA', basis='adz', value=-2.6136)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-098LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5088)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063TRP-136PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6926)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063VAL-067LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5934)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='063VAL-154THR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6539)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064GLU-111TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6702)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-072PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4871)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-084TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.1681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-084TYR-2', method='MP2CF12', mode='SA', basis='adz', value=-3.3505)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064ILE-090TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064PHE-097PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4198)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064PHE-123THR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1374)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064PHE-125TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-3.3488)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064SER-171PRO-1', method='MP2CF12', mode='SA', basis='adz', value=1.4363)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064THR-116PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9174)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-068LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-5.3208)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-078PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.7207)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-082VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2784)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-083LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064TYR-164PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.9943)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064VAL-073ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.2513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='064VAL-143GLN-2', method='MP2CF12', mode='SA', basis='adz', value=-1.9328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065ALA-070PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8517)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065ASN-110GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-2.2609)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065ASP-110GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-5.2829)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065GLN-088TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3118)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065LEU-077VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6898)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065LEU-080VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065MET-117PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.5161)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065PHE-095LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7896)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065PRO-101LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6616)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065PRO-111TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-3.1258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065SER-068TYR-1', method='MP2CF12', mode='SA', basis='adz', value=0.5126)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065SER-108TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.0475)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065THR-069ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6548)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065THR-082LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065TRP-146THR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1711)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065TRP-154THR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6975)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='065TYR-090PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-2.0577)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ALA-084ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4318)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ALA-136TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3855)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ARG-167GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-118.1262)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ASP-069ARG-2', method='MP2CF12', mode='SA', basis='adz', value=-93.2002)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066GLN-070ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-4.8240)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066HIE-069GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-2.8171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066ILE-146VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7389)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066LEU-073PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1417)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066LEU-138THR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5772)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066PHE-075LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066PHE-109SER-1', method='MP2CF12', mode='SA', basis='adz', value=-0.2769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066PRO-095TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-3.5573)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066TRP-109TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.8542)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066TRP-110PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-2.0285)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='066VAL-085ALA-1', method='MP2CF12', mode='SA', basis='adz', value=0.0613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067ARG-077ILE-1', method='MP2CF12', mode='SA', basis='adz', value=0.0692)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067ASP-070ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-2.4864)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067GLN-115GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-5.9252)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067GLN-117PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.6351)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067GLU-139TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-3.0665)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067HIE-070HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-4.9568)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067HIE-086GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-4.4529)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067LEU-078LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8241)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067LEU-107LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7722)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067LEU-109VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5885)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067PRO-095TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-4.8100)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067PRO-101ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7059)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067SER-073TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6028)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067THR-080TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1285)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067THR-082VAL-2', method='MP2CF12', mode='SA', basis='adz', value=-0.9535)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='067VAL-085ASN-1', method='MP2CF12', mode='SA', basis='adz', value=1.6808)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ARG-072THR-1', method='MP2CF12', mode='SA', basis='adz', value=-12.5838)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068HIE-075LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-10.7219)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068HIE-080GLU-1', method='MP2CF12', mode='SA', basis='adz', value=1.7764)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068HIE-123ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-26.1619)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ILE-072LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-2.3155)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ILE-084TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.9545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068ILE-091LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.1613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068LEU-081VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068LEU-146PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2289)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068MET-131LEU-1', method='MP2CF12', mode='SA', basis='adz', value=0.1258)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-076LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-2.1289)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-076LEU-2', method='MP2CF12', mode='SA', basis='adz', value=-1.3290)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-077ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6564)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-077VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9013)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-080LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-080VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0857)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-083LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9412)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068PHE-110LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8672)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068TYR-073ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0269)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068TYR-078ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-2.4245)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='068TYR-082HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.8481)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069ARG-075ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.0289)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069ASN-119VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7586)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-076ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0601)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-076ILE-2', method='MP2CF12', mode='SA', basis='adz', value=-6.5805)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-078ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-117.0927)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069GLU-123ASP-1', method='MP2CF12', mode='SA', basis='adz', value=61.7259)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069HIE-075ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069HIE-078PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-3.1624)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069ILE-101ILE-1', method='MP2CF12', mode='SA', basis='adz', value=0.3292)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069PHE-078GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-5.9013)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069PHE-080TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.4308)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069PHE-166TYR-1', method='MP2CF12', mode='SA', basis='adz', value=1.4783)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069THR-080LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-073TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-2.8237)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-086GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-086ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6748)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='069VAL-114VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5368)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070ASN-080GLU-1', method='MP2CF12', mode='SA', basis='adz', value=7.3759)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070ASP-076THR-1', method='MP2CF12', mode='SA', basis='adz', value=-15.0228)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070GLU-073LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-2.0118)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070GLU-073LYS-2', method='MP2CF12', mode='SA', basis='adz', value=-92.1295)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070MET-075ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070PHE-120TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.7308)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070SER-082VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070THR-120ASN-1', method='MP2CF12', mode='SA', basis='adz', value=5.5596)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070THR-124THR-2', method='MP2CF12', mode='SA', basis='adz', value=-4.7703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070TRP-084VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0869)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070TRP-138LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-2.5355)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='070TRP-174PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-2.4165)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071ASP-074LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-4.0259)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071LYS-195ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-4.3212)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-080ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0597)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-080LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-086ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6384)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-108ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1229)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071PHE-114SER-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071SER-082HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-5.8164)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-076LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3062)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-078GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-4.7922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-099TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-6.6960)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-100SER-1', method='MP2CF12', mode='SA', basis='adz', value=-1.9008)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-125PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.3010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-165ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3475)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071TRP-166TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.2944)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-077ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4447)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-083ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5373)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-085ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='071VAL-119VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.0177)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ARG-116ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-93.6146)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ARG-118TYR-2', method='MP2CF12', mode='SA', basis='adz', value=-6.0984)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ASN-075ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-18.3967)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072HIE-093TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.1085)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072HIE-095PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-2.1564)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-077PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4765)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-082HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.8315)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-116PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0071)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072ILE-116PHE-2', method='MP2CF12', mode='SA', basis='adz', value=-1.6191)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072THR-175GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9051)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072TYR-076ARG-2', method='MP2CF12', mode='SA', basis='adz', value=-1.4602)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072TYR-127ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='072VAL-176PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7693)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ARG-076LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-2.2804)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ARG-119ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-102.5098)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ARG-163ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5504)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ASP-135ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-110.7261)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ASP-193VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-2.4040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073GLU-077ASN-2', method='MP2CF12', mode='SA', basis='adz', value=0.2609)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073GLU-119SER-1', method='MP2CF12', mode='SA', basis='adz', value=-19.0232)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073ILE-128ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0790)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073LEU-120TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073PHE-077TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.7284)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073PHE-079LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8085)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073SER-090SER-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5457)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073SER-178SER-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3214)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073TRP-089TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-3.4935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='073VAL-111ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1198)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ALA-083TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-130TYR-2', method='MP2CF12', mode='SA', basis='adz', value=-1.3821)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-135SER-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3209)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-135SER-2', method='MP2CF12', mode='SA', basis='adz', value=-12.5502)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-136GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-2.5908)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-147TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.7993)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074ARG-147TYR-2', method='MP2CF12', mode='SA', basis='adz', value=-5.9060)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074GLN-094ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-5.7888)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074GLU-096ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-61.3705)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LEU-079TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2229)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LEU-102PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3828)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LEU-107PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.4817)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074LYS-127ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6838)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074PHE-080LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-2.3867)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074PHE-083HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.9446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074SER-091PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7148)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074SER-111GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-20.5682)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074VAL-080TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-2.4683)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074VAL-083ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8372)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='074VAL-190LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4677)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075GLU-079GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-12.5971)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075GLU-079GLU-2', method='MP2CF12', mode='SA', basis='adz', value=76.0041)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075ILE-080ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7819)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075ILE-112LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5109)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075LEU-094ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5980)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075LEU-111LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3810)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075LEU-111LEU-2', method='MP2CF12', mode='SA', basis='adz', value=-0.3988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075PHE-093PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-1.7653)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075PHE-182ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-2.2218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075PHE-184PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3284)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075SER-078TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4999)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075SER-111ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-16.9909)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='075TRP-176ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-3.6715)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-079GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-96.4409)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-120TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-2.7547)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-208TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.7684)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ARG-208TYR-2', method='MP2CF12', mode='SA', basis='adz', value=-5.9776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-084LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9946)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-089TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-25.9608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-091PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4257)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ASP-188GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-20.3405)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076GLU-170LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-2.8047)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076ILE-094ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4089)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076LEU-086MET-1', method='MP2CF12', mode='SA', basis='adz', value=-0.2301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076LEU-117ILE-2', method='MP2CF12', mode='SA', basis='adz', value=-0.0886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076LEU-123THR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076PRO-111TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076PRO-112LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.0904)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076SER-082PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5209)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076THR-090SER-1', method='MP2CF12', mode='SA', basis='adz', value=-5.4938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-125ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.4285)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-125ILE-2', method='MP2CF12', mode='SA', basis='adz', value=-1.3457)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-136TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.8789)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-139ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.2030)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='076TYR-143TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-5.3189)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ALA-096ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ALA-138ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4567)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ALA-138ARG-2', method='MP2CF12', mode='SA', basis='adz', value=-0.2037)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ASP-080ARG-2', method='MP2CF12', mode='SA', basis='adz', value=-85.0679)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077HIE-111LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-102PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-112ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-125VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1558)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-128TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0925)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077ILE-128TYR-2', method='MP2CF12', mode='SA', basis='adz', value=-1.5532)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077LEU-093VAL-2', method='MP2CF12', mode='SA', basis='adz', value=-0.1809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077LYS-178VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-3.5744)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077LYS-186ASN-2', method='MP2CF12', mode='SA', basis='adz', value=-19.1755)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-089PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.6207)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-093ILE-1', method='MP2CF12', mode='SA', basis='adz', value=0.0189)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-097LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5782)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-116PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.7691)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-160VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-162PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3242)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-201ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-6.4457)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='077PHE-205GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-8.7918)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078ALA-126VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5675)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078ASP-157LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-103.9573)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLN-085LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4114)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLN-088GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-20.6310)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLU-099THR-1', method='MP2CF12', mode='SA', basis='adz', value=-3.1573)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078GLU-127GLN-2', method='MP2CF12', mode='SA', basis='adz', value=-23.3640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078HIE-081PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.7036)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078LEU-108VAL-1', method='MP2CF12', mode='SA', basis='adz', value=0.1692)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-082VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1975)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-096ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0650)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-104TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-2.5646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-107ALA-2', method='MP2CF12', mode='SA', basis='adz', value=-0.9714)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-108LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1657)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-179LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-2.1194)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-215ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0679)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-218LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8474)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PHE-218LEU-2', method='MP2CF12', mode='SA', basis='adz', value=0.1295)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PRO-115PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5431)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078PRO-186ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-3.5171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078SER-184PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.7896)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='078TYR-082PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-3.0056)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ARG-083ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-97.7841)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ARG-182ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-110.3901)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ASP-131HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-27.8935)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079ASP-135ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.8658)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079PHE-089PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4470)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079PHE-100THR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.8813)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079PHE-104LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4296)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079SER-088ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7806)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079SER-208TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4010)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079THR-089LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0323)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079THR-089LEU-2', method='MP2CF12', mode='SA', basis='adz', value=-0.3932)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079THR-110THR-1', method='MP2CF12', mode='SA', basis='adz', value=-5.4049)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-084PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-2.4506)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-109VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8583)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-112LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7367)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-112LEU-2', method='MP2CF12', mode='SA', basis='adz', value=-1.0960)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-146PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.5218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-153TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-1.8467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079TYR-167GLN-1', method='MP2CF12', mode='SA', basis='adz', value=1.5831)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079VAL-087LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3707)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='079VAL-094ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3917)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ARG-088PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-4.8028)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ARG-090ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-3.3032)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ASP-087LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-111.8887)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080GLU-092ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-3.1553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080GLU-155ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-119.0740)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080ILE-112LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5574)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080PHE-085LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-2.1142)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080PHE-098SER-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5928)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080PHE-166PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9806)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080THR-090ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-2.0514)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-088LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3404)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-090TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-3.2091)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-095ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.0955)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-108LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-2.5349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TRP-136ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5117)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TYR-129TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-4.0938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='080TYR-172GLU-1', method='MP2CF12', mode='SA', basis='adz', value=1.3316)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ALA-088ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8405)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASN-084LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.7948)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASN-085SER-1', method='MP2CF12', mode='SA', basis='adz', value=-0.2701)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASN-100TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-5.9350)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ASP-092SER-1', method='MP2CF12', mode='SA', basis='adz', value=-18.6445)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLN-085ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-22.2773)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLU-101ASN-1', method='MP2CF12', mode='SA', basis='adz', value=5.6682)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLU-103GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5649)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081GLU-103GLN-2', method='MP2CF12', mode='SA', basis='adz', value=-13.7468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081HIE-202PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-3.0337)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081ILE-085ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-2.6613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081LYS-105VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-4.1495)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-106CYS-1', method='MP2CF12', mode='SA', basis='adz', value=13.0314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-134GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5774)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-134GLU-2', method='MP2CF12', mode='SA', basis='adz', value=-8.8211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081MET-138ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-4.9939)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081SER-087PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4538)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081TYR-085ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-2.0606)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081TYR-130VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7070)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081VAL-105TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8361)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='081VAL-149HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3705)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ARG-088PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.0234)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ARG-088PHE-2', method='MP2CF12', mode='SA', basis='adz', value=-4.4582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-121LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5708)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-135ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9242)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-136PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5790)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082ILE-186VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9576)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082LEU-176PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8467)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082PHE-091ILE-1', method='MP2CF12', mode='SA', basis='adz', value=0.8556)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082PHE-102TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.9298)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082PHE-104VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9877)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-108LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-126SER-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5692)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-127PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.8995)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='082VAL-130VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6837)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ASP-089HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-23.6703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ASP-105TYR-1', method='MP2CF12', mode='SA', basis='adz', value=3.8423)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ASP-136ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-93.7831)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083GLU-094TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-7.3302)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083HIE-086GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-25.7699)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083HIE-089ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-25.5448)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ILE-155ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7450)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083ILE-173LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-087LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2729)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-088TYR-2', method='MP2CF12', mode='SA', basis='adz', value=-1.6419)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-101GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9832)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083LEU-108VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5365)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083THR-086MET-1', method='MP2CF12', mode='SA', basis='adz', value=0.7611)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083THR-087GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2776)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083TYR-087PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-3.1144)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083TYR-094TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3785)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083TYR-096ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-1.8350)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-087LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8218)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-094PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9073)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-094PHE-2', method='MP2CF12', mode='SA', basis='adz', value=-0.7895)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-103TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5978)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-140TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0414)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='083VAL-153PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.2616)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ARG-089ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-87.4387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASN-099LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4053)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASN-103TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-8.4424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASP-087PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-4.5658)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASP-107ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-13.9421)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084ASP-126VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-2.4409)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084CYS-090LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-11.1509)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084LEU-090LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6602)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084PRO-122PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3107)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084PRO-135PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084THR-107PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-1.9054)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084THR-108TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8370)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084TYR-089ASP-1', method='MP2CF12', mode='SA', basis='adz', value=0.6850)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='084TYR-095LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3556)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085ASN-099TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4929)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085HIE-094TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.7171)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085HIE-101TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-3.0266)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085ILE-089ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085ILE-103LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3585)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-094PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0542)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-108LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-137ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1522)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LEU-138LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7993)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LYS-088GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-111.1667)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085LYS-094TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.2567)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085MET-136PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1204)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085PRO-090LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085TRP-089ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-3.0518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='085TRP-135LYS-2', method='MP2CF12', mode='SA', basis='adz', value=-7.3622)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ALA-101GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ALA-104TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9687)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ALA-136PHE-2', method='MP2CF12', mode='SA', basis='adz', value=-2.2068)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-091ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-6.1384)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-092TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-6.6896)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-112TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-11.0046)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086ASP-115ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-111.7180)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086HIE-089GLU-2', method='MP2CF12', mode='SA', basis='adz', value=14.9261)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086PRO-090ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5411)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086SER-136TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-3.3812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086VAL-105LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7031)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='086VAL-116VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6718)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087ALA-171PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-0.1007)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087ALA-173TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4091)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087ASN-091LYS-1', method='MP2CF12', mode='SA', basis='adz', value=3.6242)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087CYS-119ASP-1', method='MP2CF12', mode='SA', basis='adz', value=6.4858)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087CYS-121LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.2975)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087GLN-139ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-6.4009)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-095PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4674)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-095PHE-2', method='MP2CF12', mode='SA', basis='adz', value=-1.2052)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-096TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1102)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-109VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5018)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087LEU-153PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.2629)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087PHE-126VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7649)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087PHE-186VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5281)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087PHE-188VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0559)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='087VAL-102LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.0715)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088ASN-092ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3228)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088ILE-135LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.2800)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088ILE-135PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088LEU-108ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6191)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='088PHE-092LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9908)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ARG-106ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-92.2442)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ARG-108TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-12.3337)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ARG-131VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-2.2643)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ASP-092PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-5.2463)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ASP-112ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-13.8516)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ASP-131VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-2.5194)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089CYS-105LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089GLN-117PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.9872)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089GLN-125TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5443)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089ILE-112TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-1.7317)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089LEU-127VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0795)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089THR-098LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6034)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089THR-098LEU-2', method='MP2CF12', mode='SA', basis='adz', value=-0.6436)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089TYR-094TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6293)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='089TYR-153VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6406)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ALA-121PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.7552)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ARG-187SER-1', method='MP2CF12', mode='SA', basis='adz', value=-7.9510)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090GLU-119ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-101.3522)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ILE-099LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7244)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ILE-107SER-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1017)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090ILE-190VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3990)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090LYS-122ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-5.6585)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090LYS-122ASP-2', method='MP2CF12', mode='SA', basis='adz', value=-3.6858)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090PRO-129TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090PRO-154VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5953)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-095ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-8.4383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-095ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3310)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-099ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9177)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-105LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7676)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-112GLU-1', method='MP2CF12', mode='SA', basis='adz', value=6.1849)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='090TYR-113ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-2.3553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091ASN-096TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-7.2099)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-098SER-1', method='MP2CF12', mode='SA', basis='adz', value=-4.6687)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-118THR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5857)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-118THR-2', method='MP2CF12', mode='SA', basis='adz', value=-2.6582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-121LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-2.0476)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-122ASP-1', method='MP2CF12', mode='SA', basis='adz', value=11.6622)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-125HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0982)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091HIE-127VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9071)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091LYS-140SER-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091LYS-140SER-2', method='MP2CF12', mode='SA', basis='adz', value=-17.0728)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091THR-094HIE-2', method='MP2CF12', mode='SA', basis='adz', value=-6.7235)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='091VAL-094ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-0.2254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092ALA-164GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7306)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092LEU-095HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5895)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PHE-099TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-3.5095)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PHE-120VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9048)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PHE-131VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9800)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PRO-102HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5307)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092PRO-133LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092TRP-100GLN-1', method='MP2CF12', mode='SA', basis='adz', value=22.7656)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='092VAL-117PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1163)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ALA-099THR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7709)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ALA-164ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-4.4041)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ASN-096LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6126)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093ASP-097THR-1', method='MP2CF12', mode='SA', basis='adz', value=-21.7713)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093HIE-118GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-3.9321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093HIE-120ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6202)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='093PRO-184PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5828)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094HIE-099THR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094HIE-104PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.8942)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094ILE-114TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0049)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094LEU-132VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094LEU-182MET-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8598)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094LYS-112ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-121.6881)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094PHE-098ILE-1', method='MP2CF12', mode='SA', basis='adz', value=0.0804)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094PHE-141ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7416)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094PRO-135MET-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8621)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094TYR-097THR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4712)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094TYR-151VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8837)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094TYR-153VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.7644)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094VAL-125TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9278)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094VAL-152LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.1666)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='094VAL-166PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4906)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ASN-164ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-22.9703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ASP-102TYR-1', method='MP2CF12', mode='SA', basis='adz', value=4.9333)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095GLN-098TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.9316)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095GLN-185THR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9581)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095GLN-187ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-6.0946)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ILE-120TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6826)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ILE-120TRP-2', method='MP2CF12', mode='SA', basis='adz', value=-0.9525)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095ILE-144THR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5837)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LEU-103ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4802)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LEU-130VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6805)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LEU-133LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7410)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LYS-107ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9326)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LYS-109THR-1', method='MP2CF12', mode='SA', basis='adz', value=-14.9411)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095LYS-127ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-6.1494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-099LYS-2', method='MP2CF12', mode='SA', basis='adz', value=-2.6282)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-118ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8109)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-154ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2865)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-160VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9463)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095PHE-160VAL-2', method='MP2CF12', mode='SA', basis='adz', value=-0.4870)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095SER-114THR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1541)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095THR-182ASN-1', method='MP2CF12', mode='SA', basis='adz', value=1.7593)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095TRP-099LEU-2', method='MP2CF12', mode='SA', basis='adz', value=-1.4997)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095TRP-104VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='095TYR-106TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-4.4979)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ASP-100ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-21.3869)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ASP-101GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-22.4261)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096GLU-121LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-4.0797)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-101GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-4.3494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-103SER-1', method='MP2CF12', mode='SA', basis='adz', value=-5.8970)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-126LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.7639)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-127ASP-1', method='MP2CF12', mode='SA', basis='adz', value=12.4170)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096HIE-132VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3843)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ILE-127VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3652)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096ILE-127VAL-2', method='MP2CF12', mode='SA', basis='adz', value=-0.1466)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096TRP-110LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0568)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096VAL-105LEU-1', method='MP2CF12', mode='SA', basis='adz', value=0.0893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='096VAL-108THR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7986)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ALA-105LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5987)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ALA-117HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9637)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ASN-102TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-3.9068)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097GLU-101ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-103.1116)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097ILE-105THR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9652)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097LEU-111PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1724)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097LEU-113ILE-1', method='MP2CF12', mode='SA', basis='adz', value=1.3653)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097LEU-128PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2761)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PHE-103ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-2.2736)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PHE-181TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-2.7660)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PHE-183ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097PRO-106ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6099)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TRP-145LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5200)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TRP-173TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.9837)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TRP-213ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0790)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TYR-101TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-3.8002)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TYR-179LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-2.6197)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097TYR-179LYS-2', method='MP2CF12', mode='SA', basis='adz', value=-4.6812)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='097VAL-112TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7998)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098ILE-145ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6085)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-101VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-115SER-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0172)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-117ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5426)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-136PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9221)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-144VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5102)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-144VAL-2', method='MP2CF12', mode='SA', basis='adz', value=-0.5911)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098LEU-146TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1106)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098PRO-101GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098PRO-102ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.0672)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098PRO-114PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-112PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.1922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-127VAL-1', method='MP2CF12', mode='SA', basis='adz', value=0.0748)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-138TYR-2', method='MP2CF12', mode='SA', basis='adz', value=2.7378)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098SER-164ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-17.4690)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-101GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1507)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-105TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7365)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-152ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7698)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-286TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8346)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='098VAL-287LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3810)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-102HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.1642)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-147VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.7849)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-149ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4878)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-177ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-103.9177)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ARG-216GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-87.4206)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099GLN-108GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-4.8255)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099GLN-148HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-3.1495)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099ILE-103ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099LYS-104THR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8555)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099MET-107ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8987)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099MET-126VAL-1', method='MP2CF12', mode='SA', basis='adz', value=0.1328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099PRO-104TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-1.8491)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099PRO-164PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1101)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099PRO-166GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-2.9183)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099TRP-118PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2566)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='099TRP-272GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-24.6340)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ALA-112PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6280)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ASN-113LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8979)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ILE-103HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8299)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100ILE-104LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-1.9077)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100LEU-130VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6847)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100LEU-134ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3747)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100LEU-142LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4644)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100SER-119GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-20.4604)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100SER-131VAL-2', method='MP2CF12', mode='SA', basis='adz', value=-1.0676)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100SER-148ASN-1', method='MP2CF12', mode='SA', basis='adz', value=2.2670)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100THR-104LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100TRP-103LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-11.6626)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100TRP-103LYS-2', method='MP2CF12', mode='SA', basis='adz', value=-1.3477)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='100VAL-283ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6203)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ALA-104ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-0.1836)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ALA-128ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6920)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ALA-138TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5069)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ARG-142LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-2.0166)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ASN-125HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-3.0946)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ASP-145THR-2', method='MP2CF12', mode='SA', basis='adz', value=-18.7371)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ILE-110LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ILE-110PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6097)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101ILE-123ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7165)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101LEU-111TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3672)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101LEU-125TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7884)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101LEU-132ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5611)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TRP-132VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9793)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TRP-135LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-2.7331)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TRP-177ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9321)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101TYR-151VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101VAL-106LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9303)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101VAL-132PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4231)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='101VAL-132PHE-2', method='MP2CF12', mode='SA', basis='adz', value=-1.3547)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ALA-114PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.2194)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ASP-106SER-1', method='MP2CF12', mode='SA', basis='adz', value=-2.4715)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-109TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-3.7079)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-127GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8141)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-269HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-4.9346)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-270TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.0503)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102HIE-272GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-5.4432)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-110ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5442)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-145ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5591)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-149TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2134)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-149TYR-2', method='MP2CF12', mode='SA', basis='adz', value=-2.1802)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102ILE-153PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7853)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102SER-165LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-8.1851)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102SER-169ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-17.9503)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='102VAL-133PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9504)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ASP-149TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-22.3140)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ASP-269HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-11.0944)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLN-108PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-3.6658)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLU-106LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-112.5246)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLU-108TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-20.8288)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103GLU-177ASP-1', method='MP2CF12', mode='SA', basis='adz', value=81.9145)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103HIE-168TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-11.5375)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ILE-110VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5715)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ILE-130VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6257)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103ILE-132PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7899)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103PHE-122MET-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5170)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='103PHE-127LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8870)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104ALA-125TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3811)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104MET-112ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9699)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104MET-133PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5094)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-107ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7138)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-129ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.3507)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-147LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4857)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-166GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-22.2893)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-168LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6501)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-169PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2597)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-202PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-4.0657)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104TRP-205GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1306)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104VAL-108ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6564)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104VAL-112SER-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5573)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='104VAL-126ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7436)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ALA-115GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5494)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ASN-139VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ASN-146GLN-1', method='MP2CF12', mode='SA', basis='adz', value=0.9417)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ASN-154ASN-1', method='MP2CF12', mode='SA', basis='adz', value=4.8634)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ILE-128LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.2563)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ILE-131ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5455)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105ILE-135LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6503)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105LEU-114TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-2.0248)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105LEU-168ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0371)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105LEU-175PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6400)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PHE-127LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9888)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PHE-130ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-4.9835)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PHE-130ARG-2', method='MP2CF12', mode='SA', basis='adz', value=-1.7004)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PRO-128ILE-1', method='MP2CF12', mode='SA', basis='adz', value=0.1644)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105PRO-181TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-8.3262)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='105TYR-149HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-3.4961)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106ASN-130HIE-1', method='MP2CF12', mode='SA', basis='adz', value=1.5268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106ASP-133GLN-1', method='MP2CF12', mode='SA', basis='adz', value=4.9985)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106GLU-129LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-112.9064)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106ILE-168ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3930)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106LEU-126LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3438)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106LEU-149PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6193)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106LEU-149PHE-2', method='MP2CF12', mode='SA', basis='adz', value=-2.0857)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106PHE-109PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.2744)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106PHE-178LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-2.5335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106SER-128PHE-1', method='MP2CF12', mode='SA', basis='adz', value=0.3744)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106TYR-112SER-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0629)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='106VAL-112LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6622)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107ASP-125ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-23.9874)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107ILE-153TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9191)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107ILE-158MET-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1269)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107THR-125ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6524)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107THR-129LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-18.3582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107VAL-147PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9864)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='107VAL-147PHE-2', method='MP2CF12', mode='SA', basis='adz', value=-0.9122)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108ILE-122VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6461)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108ILE-146GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4990)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108LYS-131ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4202)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108LYS-160LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.2666)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108PHE-125TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-1.8595)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108PHE-127PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.7147)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108PHE-150VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9982)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108TRP-151ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-1.8211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='108TRP-155VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.7553)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109ARG-115GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-112.9441)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109GLN-161GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4780)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109GLN-161GLU-2', method='MP2CF12', mode='SA', basis='adz', value=-13.0099)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-113ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.1377)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-181ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9550)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-182VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3378)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-185VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2483)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109PHE-228TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.7252)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109SER-137ASN-1', method='MP2CF12', mode='SA', basis='adz', value=1.7406)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109THR-131VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109THR-158MET-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8408)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='109VAL-164ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4193)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ALA-161PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-1.8008)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ALA-164ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5714)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110GLU-129LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-114.1759)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-116PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1215)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-149ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1683)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-151VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0479)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110ILE-162VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9195)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110LEU-125VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110LEU-127ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3874)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-123ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3002)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-128PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6985)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-222TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-3.4437)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-226LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1462)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110PHE-226LEU-2', method='MP2CF12', mode='SA', basis='adz', value=-1.2552)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110THR-127GLN-2', method='MP2CF12', mode='SA', basis='adz', value=-5.8569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='110THR-129TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-5.7920)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111ASP-156SER-2', method='MP2CF12', mode='SA', basis='adz', value=8.6853)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111ASP-193HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-9.9333)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111HIE-218LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-2.4631)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-116ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8984)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-130TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3198)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-158LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4794)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111LEU-169LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4850)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111TRP-115GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-4.3447)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='111VAL-125ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5172)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ALA-128PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8772)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ALA-131VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8937)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ARG-115ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-1.8291)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ARG-125PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.1243)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ARG-127GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6143)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ASP-183GLU-1', method='MP2CF12', mode='SA', basis='adz', value=84.4983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ILE-125VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.2203)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112ILE-142ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0138)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112LEU-142PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112LYS-127LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9666)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112PHE-121LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5313)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112PHE-125HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3814)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TRP-119ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0052)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TRP-119ARG-2', method='MP2CF12', mode='SA', basis='adz', value=-3.0237)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TRP-120VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TYR-125GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-2.2454)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TYR-128LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9334)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='112TYR-190ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-8.4327)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-118ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-3.0436)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-120VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6653)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-122VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3830)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ALA-225TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0521)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ASP-195GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-14.4731)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-131VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5173)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-164HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2772)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-185VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.1428)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-190ARG-2', method='MP2CF12', mode='SA', basis='adz', value=-1.9524)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113ILE-232ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113LYS-117GLU-2', method='MP2CF12', mode='SA', basis='adz', value=-3.6533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113LYS-170VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7955)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113LYS-173GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-123.3934)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113SER-120ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4716)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-119PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.9804)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-124HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-4.0919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-126ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9547)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-171ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-22.6225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TRP-178ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.2512)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113TYR-124THR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1328)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113VAL-120HIE-2', method='MP2CF12', mode='SA', basis='adz', value=-2.0150)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='113VAL-143PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8988)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114ALA-160ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5346)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114ASN-122ARG-2', method='MP2CF12', mode='SA', basis='adz', value=-0.7681)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114ASP-179LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-4.6749)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114GLU-144ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-7.8834)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114GLU-146ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-120.1254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114LEU-118ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5198)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114LYS-225TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-2.0645)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='114VAL-167GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-2.9949)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115ASN-124LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1084)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115ASP-156ASP-1', method='MP2CF12', mode='SA', basis='adz', value=83.8918)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLN-118ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-2.6464)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-123PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1031)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-123PRO-2', method='MP2CF12', mode='SA', basis='adz', value=-4.0129)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-160GLU-1', method='MP2CF12', mode='SA', basis='adz', value=62.7624)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115GLU-163TYR-2', method='MP2CF12', mode='SA', basis='adz', value=-4.1900)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115MET-168TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7805)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115PRO-129TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.5881)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115THR-138VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4659)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115THR-142GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-19.6767)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115THR-142GLU-2', method='MP2CF12', mode='SA', basis='adz', value=-17.7244)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115VAL-122MET-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6993)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115VAL-123PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8163)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='115VAL-130ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-2.4828)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116ALA-162PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116LYS-144SER-1', method='MP2CF12', mode='SA', basis='adz', value=-8.9397)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116PHE-130VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4578)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='116PHE-165VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117HIE-123PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4190)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117ILE-142PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1549)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PHE-125TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.1166)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PHE-130HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4618)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PRO-126ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8609)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PRO-129TYR-1', method='MP2CF12', mode='SA', basis='adz', value=0.9403)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117PRO-130LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='117VAL-166ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6810)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ALA-160VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.2647)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ARG-157ASN-1', method='MP2CF12', mode='SA', basis='adz', value=9.1712)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ARG-185ARG-1', method='MP2CF12', mode='SA', basis='adz', value=62.4801)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ASP-136HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-26.4340)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118GLN-121PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3611)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118GLU-173PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-4.4803)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118GLU-176THR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-136VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4987)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-165ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4026)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-166TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1907)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118ILE-178TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0934)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118THR-121LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0314)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='118VAL-162PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5621)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119ALA-160LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5630)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119CYS-168HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-3.6247)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119LEU-137ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.0229)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119LEU-137ALA-2', method='MP2CF12', mode='SA', basis='adz', value=-0.4107)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119LYS-186VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6873)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119MET-144SER-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0384)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119PHE-124HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.7630)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119PHE-176THR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0647)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119SER-123ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-2.7524)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119SER-140TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5996)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119THR-123THR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9452)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119THR-123THR-2', method='MP2CF12', mode='SA', basis='adz', value=-0.3945)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='119TYR-174ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0290)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120HIE-185ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8884)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120ILE-123TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5272)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-123ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5237)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-124ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-2.8399)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-124LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2535)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-135ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7463)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-171TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4086)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LEU-171TYR-2', method='MP2CF12', mode='SA', basis='adz', value=-1.7576)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LYS-138VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8426)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120LYS-142ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-98.7134)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120PRO-126ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5440)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120SER-136HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3578)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120THR-143VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3341)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120THR-147GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-19.8181)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120TYR-141PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3391)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120VAL-123ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120VAL-154ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8234)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='120VAL-275LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4751)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121ASN-132THR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1137)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121GLN-144ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-22.1501)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121LEU-125HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7627)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121LEU-125HIE-2', method='MP2CF12', mode='SA', basis='adz', value=-0.7650)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121PHE-126VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2475)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121PHE-191LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7784)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121PHE-219TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-1.7183)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121TYR-125LEU-2', method='MP2CF12', mode='SA', basis='adz', value=-2.0703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='121VAL-157ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9300)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122ASP-125LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-3.8678)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122LEU-188VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5164)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122MET-126GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-8.0035)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122VAL-125ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4327)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122VAL-143VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6743)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='122VAL-152PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6895)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123ALA-128VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5002)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123ALA-158ILE-1', method='MP2CF12', mode='SA', basis='adz', value=1.6803)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123ARG-127GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-2.8422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123MET-140ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8383)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123SER-182ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7433)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123THR-136SER-1', method='MP2CF12', mode='SA', basis='adz', value=-4.3233)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123TYR-154VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9821)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='123VAL-134LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3997)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ALA-156THR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ASP-131THR-1', method='MP2CF12', mode='SA', basis='adz', value=4.3769)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ASP-132THR-1', method='MP2CF12', mode='SA', basis='adz', value=-20.0648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124ASP-134ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-112.2134)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124GLN-200ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8661)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124HIE-140GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-25.2505)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124HIE-143VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5173)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124LEU-136HIE-2', method='MP2CF12', mode='SA', basis='adz', value=-1.4786)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='124LEU-181VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4022)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125GLU-192PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-5.2995)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125ILE-136TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7995)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125LEU-129LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2705)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125PHE-143VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2704)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TRP-138SER-1', method='MP2CF12', mode='SA', basis='adz', value=-4.2999)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TRP-150VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TRP-152LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.9836)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='125TYR-164HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-3.1288)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ALA-140GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8772)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ASN-129ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-1.9522)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126GLU-130ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-104.4916)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ILE-136PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ILE-139PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2683)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126ILE-139PHE-2', method='MP2CF12', mode='SA', basis='adz', value=-2.6799)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126LEU-130HIE-2', method='MP2CF12', mode='SA', basis='adz', value=-1.1121)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126LEU-162PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9268)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126LYS-158ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6626)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126PHE-132HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5607)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126PHE-171TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.6086)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126PHE-176TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.8646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126SER-171ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6527)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='126THR-197TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2959)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127ALA-177ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-2.3779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127GLU-146ARG-2', method='MP2CF12', mode='SA', basis='adz', value=-97.0746)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127GLU-269HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1850)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127GLU-269HIE-2', method='MP2CF12', mode='SA', basis='adz', value=13.2946)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127LEU-210VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4392)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127MET-131LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4195)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-132ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3552)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-133SER-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9532)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-138SER-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6316)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-140HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-3.6711)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-158VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9295)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-183TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.3514)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-206ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1107)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-237ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9112)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='127PHE-239PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-3.1193)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128ILE-131LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128LYS-183TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.5168)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128PHE-235LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7083)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128PHE-252LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128PRO-275LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0501)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128TYR-158MET-1', method='MP2CF12', mode='SA', basis='adz', value=-3.0408)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128TYR-160LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='128VAL-160LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8278)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129ASN-132TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-3.6640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129ASP-140HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-25.2995)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129ASP-148TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.0114)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-155PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-192PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4794)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-195PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-0.2419)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-277TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.8878)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129LEU-277TYR-2', method='MP2CF12', mode='SA', basis='adz', value=-1.1481)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129PHE-133VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129PHE-156ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-7.2374)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129PHE-166PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-2.0791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129TYR-133ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-8.3667)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129TYR-136TYR-2', method='MP2CF12', mode='SA', basis='adz', value=-3.4497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129VAL-159PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='129VAL-184PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.7838)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130ARG-170TYR-2', method='MP2CF12', mode='SA', basis='adz', value=-3.2424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130ARG-244ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.9961)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130ARG-248GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-76.2537)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130GLN-134GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-16.9098)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130GLN-137ARG-1', method='MP2CF12', mode='SA', basis='adz', value=0.2922)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130PRO-135ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0083)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130PRO-139ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6006)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130PRO-180PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0273)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130SER-149HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-8.7180)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130SER-153TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-5.7800)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130VAL-139ILE-1', method='MP2CF12', mode='SA', basis='adz', value=0.1912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130VAL-162VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5709)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='130VAL-185PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0082)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ALA-140HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7685)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ARG-134GLU-2', method='MP2CF12', mode='SA', basis='adz', value=-79.4610)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ASP-147PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4944)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131ASP-182PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-3.4692)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131LEU-136VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.0459)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131LEU-160MET-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7565)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131PRO-219VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131PRO-220GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-4.1046)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='131THR-149LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5518)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ARG-136ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-2.6242)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ASP-156ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-102.4968)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132HIE-135LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0732)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132HIE-147ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-26.1742)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132HIE-149ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5047)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ILE-135PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8912)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ILE-138TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-0.0346)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132ILE-146TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9386)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132LEU-198PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9543)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-162VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5070)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-174SER-1', method='MP2CF12', mode='SA', basis='adz', value=-1.8446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-176VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3177)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132PHE-183GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-1.9077)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='132TYR-136PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-1.8599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133LYS-136ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-102.6528)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133LYS-198PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4275)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133PRO-151ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-5.0622)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133SER-161GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-17.8731)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133TRP-143MET-2', method='MP2CF12', mode='SA', basis='adz', value=-2.5360)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133TRP-148VAL-1', method='MP2CF12', mode='SA', basis='adz', value=0.6134)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133TRP-277TYR-1', method='MP2CF12', mode='SA', basis='adz', value=1.1060)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133VAL-137ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-2.7513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='133VAL-146TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-2.0477)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134GLU-138ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-104.2045)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134ILE-147ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-2.9331)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134ILE-167LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4008)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='134LEU-205TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5932)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135ARG-193VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-2.0118)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135ILE-180PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8448)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LEU-139LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1346)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LEU-163LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.2471)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LEU-179LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LYS-157GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-104.9920)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135LYS-177ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9179)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PHE-147TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-3.0792)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PRO-140SER-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8143)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PRO-144LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9125)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135PRO-155PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6149)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135TRP-147GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-6.2768)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='135TRP-208ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1407)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136ARG-142ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-2.2082)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136ASP-198PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-7.0532)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136ASP-201VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-3.2311)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136CYS-143PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.2193)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136PHE-141ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7920)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136PHE-146TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-2.2501)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136SER-144ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-14.5955)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136TRP-155CYS-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136TRP-165ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-23.1077)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136TRP-179MET-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4630)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='136VAL-169LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137ARG-154TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-2.6971)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137ARG-154TRP-2', method='MP2CF12', mode='SA', basis='adz', value=-6.6669)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137ARG-157GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-100.8659)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137GLU-143MET-1', method='MP2CF12', mode='SA', basis='adz', value=-5.2145)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137SER-156ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9269)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='137TYR-166SER-1', method='MP2CF12', mode='SA', basis='adz', value=-0.2114)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138ARG-142GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-92.3960)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138ILE-156ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-1.8613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138LEU-149PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138PHE-153PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.7083)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138SER-169VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8177)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138TRP-146PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-4.3540)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138TRP-243LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.2419)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='138VAL-144ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6424)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139ASN-154SER-1', method='MP2CF12', mode='SA', basis='adz', value=-5.0452)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139GLU-144LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-115.9052)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139ILE-143TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2778)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139LEU-204TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3442)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139PRO-180PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='139TYR-148SER-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5370)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140GLU-143VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-3.8332)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140GLU-155THR-1', method='MP2CF12', mode='SA', basis='adz', value=-16.8244)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140GLU-156ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-118.8533)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='140LEU-168LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.1584)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141GLN-160PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8713)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141LYS-144GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-110.7504)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141MET-155ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5821)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141PHE-152PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.2777)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141SER-144ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-13.8272)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='141SER-154ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3667)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142GLN-154GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-5.3568)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142ILE-155LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4606)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142ILE-155LEU-2', method='MP2CF12', mode='SA', basis='adz', value=-0.6866)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142ILE-185VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9302)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142PHE-170ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8779)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-147LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-9.2420)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-148TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-3.8150)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-150VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.1323)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-160PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-4.1254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-170ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.0918)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-199THR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2545)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='142TYR-203VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8336)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143ARG-187ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-115.7562)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143ARG-188LYS-1', method='MP2CF12', mode='SA', basis='adz', value=62.4319)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143GLN-147GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-23.2371)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143ILE-146VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4815)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143LEU-160ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-2.6013)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143TRP-146LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-4.9781)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143TYR-150ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.9211)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143VAL-147LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6401)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='143VAL-152PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0197)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144ARG-147GLU-2', method='MP2CF12', mode='SA', basis='adz', value=-92.2655)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144ASP-150SER-1', method='MP2CF12', mode='SA', basis='adz', value=-15.3133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144ILE-155THR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8933)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144LYS-161GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-121.7252)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144PHE-153LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-2.1259)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='144PHE-155ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7279)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='145GLN-149MET-2', method='MP2CF12', mode='SA', basis='adz', value=3.7149)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='145LEU-149PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9550)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='145THR-149PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6919)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146ARG-207GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-118.4468)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146GLU-158SER-1', method='MP2CF12', mode='SA', basis='adz', value=9.5486)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-149PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.8152)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-150LEU-2', method='MP2CF12', mode='SA', basis='adz', value=-1.7524)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-150VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5170)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-164TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2413)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-165PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1554)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146PHE-199LYS-2', method='MP2CF12', mode='SA', basis='adz', value=-1.8911)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146VAL-161VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6134)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146VAL-161VAL-2', method='MP2CF12', mode='SA', basis='adz', value=-0.4941)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='146VAL-165HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4866)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147ASP-171TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-25.5230)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147ASP-188LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-110.7057)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147LYS-203VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147PHE-159PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.8979)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147PHE-182PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.9684)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='147VAL-175SER-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8210)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148ALA-158LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5790)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148HIE-152GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-3.2393)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148ILE-202VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5891)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148ILE-204ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-2.3495)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148PHE-164HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.7877)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148PHE-165TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-3.4608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148SER-163ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8186)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='148TYR-170ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2562)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-167THR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-171TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-4.9862)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-175SER-1', method='MP2CF12', mode='SA', basis='adz', value=-3.0015)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149ASN-177ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-6.3016)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149LEU-152GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4937)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-159ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.9390)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-164PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1876)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-165PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.7473)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PHE-169VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6240)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PRO-152GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-3.1011)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149PRO-152PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9195)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149THR-157PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9429)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='149TYR-153PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.7685)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150ARG-157ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-112.8224)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150ARG-208ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.1856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-153PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8603)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-154TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5502)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-159PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2028)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-167LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4380)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-170HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0346)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-202LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LEU-203GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-2.4000)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='150LYS-158LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5392)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='151ILE-159VAL-1', method='MP2CF12', mode='SA', basis='adz', value=0.0214)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='151SER-159PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.2112)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='151THR-163THR-1', method='MP2CF12', mode='SA', basis='adz', value=5.3791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152ASP-156LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-5.1324)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152ASP-158LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2653)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152CYS-197VAL-1', method='MP2CF12', mode='SA', basis='adz', value=0.5246)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152LYS-156ASP-2', method='MP2CF12', mode='SA', basis='adz', value=-114.7845)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='152LYS-277TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.6529)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153ASP-156ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-67.1796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153ASP-200ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-105.9150)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153LYS-203GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-115.0357)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153PHE-163LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1886)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='153TRP-158MET-1', method='MP2CF12', mode='SA', basis='adz', value=-2.7764)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ARG-204ARG-1', method='MP2CF12', mode='SA', basis='adz', value=61.7718)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ARG-208TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-10.6842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ILE-159GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5704)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154ILE-160VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5480)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154LEU-191TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1921)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154LYS-159ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5795)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154TYR-203GLU-1', method='MP2CF12', mode='SA', basis='adz', value=4.9744)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='154TYR-207ASN-1', method='MP2CF12', mode='SA', basis='adz', value=0.5680)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PHE-197TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PHE-277TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-3.1504)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PHE-284LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9003)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='155PRO-170TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3005)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-171ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-94.6377)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-172THR-1', method='MP2CF12', mode='SA', basis='adz', value=-14.6621)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-197GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-113.8550)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-200TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-2.6599)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156ARG-200TRP-2', method='MP2CF12', mode='SA', basis='adz', value=-12.4861)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='156SER-191TYR-2', method='MP2CF12', mode='SA', basis='adz', value=-1.7542)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157ASP-202VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-2.2612)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157ASP-204ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-118.0025)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157ILE-160CYS-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157MET-181ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.2970)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157MET-192ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0397)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157PRO-161VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9762)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='157VAL-167PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2397)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158ALA-193HIE-2', method='MP2CF12', mode='SA', basis='adz', value=-0.9082)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158ALA-284LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4102)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158ILE-164LYS-2', method='MP2CF12', mode='SA', basis='adz', value=-0.8560)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158LEU-172THR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.2297)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158VAL-169VAL-1', method='MP2CF12', mode='SA', basis='adz', value=0.0657)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='158VAL-205TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1962)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ALA-197TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4891)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159GLU-170LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-4.3737)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-172TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6598)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-199LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8133)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-200TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5306)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159ILE-203PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4456)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PHE-206ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7477)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PRO-164VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5638)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PRO-178TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.6824)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159PRO-192ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0355)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='159VAL-180LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0793)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160LEU-164TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5732)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160MET-169LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160PHE-169VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.7205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='160PHE-203VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0716)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161ARG-285ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-86.2865)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161ARG-288ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-2.1435)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161ARG-292GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-119.3683)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161THR-194VAL-2', method='MP2CF12', mode='SA', basis='adz', value=-0.1977)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161TYR-201ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-2.2984)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161TYR-204ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1832)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='161VAL-170LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5726)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162ALA-174ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6861)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162ALA-175TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-2.2868)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-198PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0700)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-201LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3977)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-203VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7477)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-208ILE-1', method='MP2CF12', mode='SA', basis='adz', value=0.0804)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162LEU-284LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3756)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162PHE-168LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-2.0499)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162PHE-207ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2830)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162VAL-167CYS-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9108)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162VAL-167TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4280)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='162VAL-167TYR-2', method='MP2CF12', mode='SA', basis='adz', value=-1.0875)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ARG-201LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-2.1953)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ASN-166ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6765)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ASN-196ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-5.6684)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163ILE-166CYS-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7142)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163LEU-171ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5643)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163LEU-175LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.1549)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-174ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.0978)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-178TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.7513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-180LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9666)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-180LEU-2', method='MP2CF12', mode='SA', basis='adz', value=-1.2539)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-183LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-6.3758)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-184VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1575)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='163TYR-187GLU-1', method='MP2CF12', mode='SA', basis='adz', value=4.1954)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='164VAL-171ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8882)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='164VAL-225LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5937)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165ALA-292GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-2.3031)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165GLN-224MET-2', method='MP2CF12', mode='SA', basis='adz', value=-1.9629)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165LYS-169ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-111.8982)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165PHE-169VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5274)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-168ASP-1', method='MP2CF12', mode='SA', basis='adz', value=3.3255)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-171VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5600)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-208ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8666)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165TYR-208ILE-2', method='MP2CF12', mode='SA', basis='adz', value=-1.5619)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='165VAL-177ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5580)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='166ILE-187ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4747)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='166PRO-171VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6003)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='166PRO-172VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4050)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='167GLU-187ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-116.6969)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='167PHE-170TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-2.7878)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='167PRO-170VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0885)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168HIE-180GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-24.8107)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168ILE-178VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4843)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168LEU-172ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-2.4248)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168LEU-211ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-1.8963)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168TYR-203ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2043)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='168TYR-224MET-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4957)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169ASP-172SER-2', method='MP2CF12', mode='SA', basis='adz', value=-18.5312)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169LEU-181TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3840)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169LYS-172ILE-2', method='MP2CF12', mode='SA', basis='adz', value=-2.8026)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169LYS-291ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4883)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='169MET-184VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.1600)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170ALA-175TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1937)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170HIE-174LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2229)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170LEU-178LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9968)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170LEU-186TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3718)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='170THR-180GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6132)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171ASP-176THR-1', method='MP2CF12', mode='SA', basis='adz', value=-17.3225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171THR-180SER-1', method='MP2CF12', mode='SA', basis='adz', value=-5.2071)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171TYR-180PRO-1', method='MP2CF12', mode='SA', basis='adz', value=2.2120)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='171TYR-231VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1842)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='172ASP-204TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-25.8076)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='172ILE-235VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5832)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='172TYR-193VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8830)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173ARG-234ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-116.1067)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173ARG-296LYS-1', method='MP2CF12', mode='SA', basis='adz', value=58.5870)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173CYS-269HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7828)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173CYS-270TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1026)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173LEU-190VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5509)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173PHE-176THR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9482)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173TYR-211PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1588)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173TYR-213ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.0582)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='173TYR-245ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2727)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174ASN-178LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-24.4275)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174MET-177ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1938)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174THR-205LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-203VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8250)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-205PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6491)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-270TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.2777)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-273GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7201)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='174VAL-273GLU-2', method='MP2CF12', mode='SA', basis='adz', value=-0.8685)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='175LEU-233ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3740)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='175VAL-268LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9647)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='175VAL-274ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-6.7703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ALA-195LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6337)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ARG-182GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-114.1715)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ARG-273GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-76.0465)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ILE-198PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3021)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ILE-201ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4825)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176ILE-205LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4090)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-204TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.7395)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-208ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6717)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-208ALA-2', method='MP2CF12', mode='SA', basis='adz', value=-0.5269)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176LEU-214PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5710)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='176THR-180LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7613)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='177ASP-216GLU-1', method='MP2CF12', mode='SA', basis='adz', value=70.5009)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='177GLN-190VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0433)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='178SER-239ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-18.7889)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179ALA-225TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8773)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179ALA-238MET-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7436)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179ALA-250ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7713)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179LEU-239PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.7374)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179TYR-216GLU-1', method='MP2CF12', mode='SA', basis='adz', value=4.4364)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179TYR-250PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-4.0422)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='179TYR-258TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-4.3753)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180ASN-219SER-1', method='MP2CF12', mode='SA', basis='adz', value=-4.8555)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180ASN-229TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-3.5248)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180GLU-187ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-100.8766)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180GLU-189ARG-2', method='MP2CF12', mode='SA', basis='adz', value=-104.9033)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180GLU-194ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-114.9047)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-184VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3212)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-209TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-11.5654)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-214PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6241)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='180HIE-224ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8470)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181ILE-228TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1648)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181THR-195SER-1', method='MP2CF12', mode='SA', basis='adz', value=-5.1991)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181TRP-185GLN-1', method='MP2CF12', mode='SA', basis='adz', value=-2.0270)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181TRP-189SER-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8815)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='181TRP-258TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-2.8957)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ASP-186ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-10.9809)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ILE-192ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7771)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ILE-239PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0329)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182ILE-242LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5301)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182PRO-186LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4207)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182PRO-186LEU-2', method='MP2CF12', mode='SA', basis='adz', value=-1.0817)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='182PRO-189ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-2.8873)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-190LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3643)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-194ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8225)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-205LEU-1', method='MP2CF12', mode='SA', basis='adz', value=0.1791)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183GLN-209TYR-1', method='MP2CF12', mode='SA', basis='adz', value=2.1345)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='183TYR-186LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-14.9864)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184ASP-187ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-87.5075)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-205THR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.8464)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-209LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3705)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-225TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-2.4949)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-228VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3013)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-238MET-1', method='MP2CF12', mode='SA', basis='adz', value=-1.8724)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184PHE-255TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6724)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184THR-220ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4435)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='184VAL-225GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5384)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185PHE-190LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-2.0523)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185TYR-220PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4611)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185VAL-224ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.1463)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='185VAL-228TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3870)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186CYS-192PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9372)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186GLU-189LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-108.4435)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186LYS-191VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6266)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186LYS-191VAL-2', method='MP2CF12', mode='SA', basis='adz', value=-1.4322)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186TYR-273GLU-1', method='MP2CF12', mode='SA', basis='adz', value=4.9854)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186VAL-208PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='186VAL-223LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5404)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='187LYS-193THR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5404)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='187LYS-193THR-2', method='MP2CF12', mode='SA', basis='adz', value=-1.6347)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='188LYS-225GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-5.1808)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189THR-199LYS-1', method='MP2CF12', mode='SA', basis='adz', value=0.3039)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189THR-205PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3646)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189THR-207GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-16.2697)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='189TYR-232ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5306)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='190ARG-235LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.9918)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='190LYS-193GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-108.4291)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='190PHE-199LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3477)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='191LEU-219TRP-2', method='MP2CF12', mode='SA', basis='adz', value=-2.4103)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='191TRP-229TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1993)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='192GLN-197VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6174)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='192ILE-242LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5351)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='192SER-269ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-9.7307)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='193HIE-248MET-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9052)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='193HIE-301MET-1', method='MP2CF12', mode='SA', basis='adz', value=-1.9962)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194ASP-269ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-119.1137)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194ILE-205LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5775)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-198PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.8806)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-201LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-1.8909)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-217PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6436)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-233ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-1.8818)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-237ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5705)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='194PHE-241TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.6909)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195ASP-241TYR-1', method='MP2CF12', mode='SA', basis='adz', value=6.1639)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195LEU-205PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9034)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195LEU-237ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3623)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195LEU-269ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-3.4038)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='195PRO-198PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.8345)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-218GLU-1', method='MP2CF12', mode='SA', basis='adz', value=10.8168)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-221MET-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7885)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-249ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6484)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='196HIE-249ILE-2', method='MP2CF12', mode='SA', basis='adz', value=-1.4738)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='197TYR-201LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.7711)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='197TYR-252PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-1.9796)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='197TYR-284LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7501)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198ASN-201LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6884)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-205PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4995)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-217PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0227)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-284LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='198PHE-287LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5877)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='199LYS-207GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-108.3826)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='200TRP-204ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-3.0901)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='201LEU-284LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5924)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='201SER-209ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-2.2683)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='202TYR-212ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6640)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='202TYR-241TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.1485)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='203VAL-291ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6738)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205LEU-212ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8040)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205MET-223ASP-2', method='MP2CF12', mode='SA', basis='adz', value=-5.6277)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205MET-224MET-1', method='MP2CF12', mode='SA', basis='adz', value=-1.7153)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='205THR-209LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6936)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='206ASP-210TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-27.7826)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='206VAL-231TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3464)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='207PRO-216VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4453)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='208ALA-214PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1940)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='209TYR-214PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6513)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='210GLU-213LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-109.2671)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='210TYR-216ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-1.7130)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='210TYR-286TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.0762)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='211ASP-214LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-114.2835)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='211PRO-245ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7396)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='212ALA-221GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-2.3667)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='212ILE-243LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-1.7725)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='212PRO-215ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9937)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='214ILE-217PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6096)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='215ALA-282PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7303)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='217PHE-234TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.0964)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='217PHE-247ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0096)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='217PHE-249TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-2.6451)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='218ALA-249TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-2.5737)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='218ALA-258TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5757)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219SER-229TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-2.4895)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-222TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4531)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-222TYR-2', method='MP2CF12', mode='SA', basis='adz', value=-1.6570)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-272ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8856)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-286TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-1.1801)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='219VAL-288LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.1139)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='220ALA-256THR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6983)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='220ALA-286TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.1909)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-226LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-4.1724)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-230LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-111.1995)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-231TYR-1', method='MP2CF12', mode='SA', basis='adz', value=7.4608)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-262SER-1', method='MP2CF12', mode='SA', basis='adz', value=-18.2504)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-263SER-1', method='MP2CF12', mode='SA', basis='adz', value=-18.5906)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='221GLU-265GLU-1', method='MP2CF12', mode='SA', basis='adz', value=80.9676)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='222ALA-249ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6079)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223ASP-286TYR-1', method='MP2CF12', mode='SA', basis='adz', value=4.8425)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223ASP-288LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-3.5174)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223ASP-289SER-1', method='MP2CF12', mode='SA', basis='adz', value=-19.7202)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='223LEU-227ASN-1', method='MP2CF12', mode='SA', basis='adz', value=1.2199)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='224MET-229PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-2.4569)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='224MET-229PHE-2', method='MP2CF12', mode='SA', basis='adz', value=-1.4205)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='225ASN-228ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-1.6094)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='225TRP-228VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0051)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='225TRP-252GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-2.3663)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-233LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-2.2586)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-247VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0651)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-294TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-2.3793)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LEU-294TYR-2', method='MP2CF12', mode='SA', basis='adz', value=-1.4884)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='226LYS-262SER-1', method='MP2CF12', mode='SA', basis='adz', value=-17.8902)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='227HIE-255SER-1', method='MP2CF12', mode='SA', basis='adz', value=0.4497)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='227HIE-256LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.2303)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='227HIE-289SER-1', method='MP2CF12', mode='SA', basis='adz', value=-2.0563)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='228ARG-232GLU-2', method='MP2CF12', mode='SA', basis='adz', value=-91.7346)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='228VAL-254THR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3180)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='232PRO-290LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6737)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234ASN-237ASN-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4875)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-260LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8540)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-262VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4349)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-286TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-2.0359)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='234LEU-286TRP-2', method='MP2CF12', mode='SA', basis='adz', value=-2.3917)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='235VAL-294ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5790)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236ILE-258LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.4087)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236ILE-260ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8995)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236PHE-262VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.9281)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236PHE-279ILE-2', method='MP2CF12', mode='SA', basis='adz', value=-1.8337)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='236PHE-282GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0746)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237ILE-267ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5254)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237ILE-269ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-1.4901)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237TRP-246PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-2.0591)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237TRP-249ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5969)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='237TRP-263ASP-1', method='MP2CF12', mode='SA', basis='adz', value=-1.7335)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='238MET-247PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0265)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='238MET-255TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-2.2426)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='239ASP-244THR-1', method='MP2CF12', mode='SA', basis='adz', value=-3.6585)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='239ASP-271PRO-1', method='MP2CF12', mode='SA', basis='adz', value=-12.1990)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='240ASP-270SER-1', method='MP2CF12', mode='SA', basis='adz', value=-17.8976)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='240PRO-268LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7068)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='241ARG-272GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-92.0609)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='243LEU-269HIE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3897)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='244SER-294TYR-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3703)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='245ILE-250ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7051)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='245PRO-248GLU-1', method='MP2CF12', mode='SA', basis='adz', value=-2.2463)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='248MET-298ARG-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9025)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-269MET-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6219)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-276ILE-1', method='MP2CF12', mode='SA', basis='adz', value=-0.3305)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-297PHE-1', method='MP2CF12', mode='SA', basis='adz', value=-1.5356)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='249ILE-300LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7255)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='250ILE-255TRP-1', method='MP2CF12', mode='SA', basis='adz', value=-1.8521)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='250ILE-255TRP-2', method='MP2CF12', mode='SA', basis='adz', value=-2.2150)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='251LEU-269MET-1', method='MP2CF12', mode='SA', basis='adz', value=-1.3596)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='252PRO-258ALA-1', method='MP2CF12', mode='SA', basis='adz', value=-0.5271)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='253ALA-261THR-1', method='MP2CF12', mode='SA', basis='adz', value=0.8729)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='253ALA-302SER-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9536)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='255TRP-261VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-1.7993)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='258LEU-261VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.7018)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='261VAL-266VAL-1', method='MP2CF12', mode='SA', basis='adz', value=-0.2126)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='264ILE-271LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.6723)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='270SER-283LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-0.8446)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='273PRO-283LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0509)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='274ILE-279LYS-1', method='MP2CF12', mode='SA', basis='adz', value=-0.9387)
    dbinstance.add_ReactionDatum(citation='merz3', dbse='SSI', rxn='275ASN-278LEU-1', method='MP2CF12', mode='SA', basis='adz', value=-1.0246)
